(R,S)-2-{[4-(4-Methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio}-1-phenyl-1-ethanol
Round 1
Reviewer 1 Report
The compounds described by Badea and Valicsek are interesting and as far as I known they have not been previously described. The manuscript is well written, concise and the experimental procedures contain enough detail. However, some few corrections are needed before publication. The corrections suggested are listed below:
1) The numbers of the compounds, along the text (including in the abstract), should be written using bold style;
2) In the Scheme 1, the phenyl in the 5-position of compound 4 is indicated as Ph, but in the following schemes it is not. I suggest the authors to use always the same form (phenyl ring structure or Ph). See also PhCOCl in Scheme 1;
3) The names of compounds 4a and 4b are not correct. Substituents should be indicated following alphabetical order; accordingly, phenyl comes after 4-(4-methylphenyl)…; also correct the name of the compound in the scheme caption;
4) The name of compound 4, in scheme 3, should be corrected; substituents should be indicated by alphabetical order; also write -4H- instead of -4H- in the compound name, in all the schemes and in the text. In compound 5 , write triazol-3-yl instead of triazole-3-yl;
5) DMF is missing in the reaction conditions depicted in Scheme 3; please write Cs2CO3 and DMF, as well as the temperature and reaction time and yield. See also scheme 4 for the reaction conditions; temperature and reaction time are not indicated;
6) Yields should be indicated without decimal points or with one decimal point only (e.g 36% or 36.1%, instead of 36.12%);
7) In page 3, lines 64 and 66, write ortho using italic style;
8) The name of the compound in section 3.1, page 3, is not correct. The NMR presented is for the thione form and not for the thiol. The name of the compound 4a should be replaced by the name of compound 4b;
9) Coupling constants should be presented using only one decimal point (eg. J = 8.4 Hz instead of J = 8.41 Hz).
10) Page 3, line 84: replace 7,36.7,31 by 7.36-7.31; line 89, replace δN: 183,9 (4-N), by δ(ppm): 183.9 (4-N); δ should be written using italic style.
11) In the structural characterization of compound 3.2, the small coupling constants between protons 2”’-H, 6”’-H (J = 1.20 Hz) and 4”’-H (J = 1.29 Hz), should be the same (J = 1.2 Hz).
12) Page 4, line 118, when the authors state “…at certain intervals.”, please be more specific and indicate the time intervals.
13) Page 4, line 133: replace 40.6 (-CH2) by 40.6 (-CH2).
14) Page 5, replace δN: 177.9 (1-N) by δ(ppm): 177.9 (1-N).
15) In the references section all journals should be indicated using the abbreviated name form (eg, ref. 9, Eur. J. Med. Chem.; ref.11, Bioorg. Med.Chem.; ref.14, J. Med. Chem.).
After these corrections have been done, the manuscript can be accepted for publication.
Comments for author File: 
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Author Response
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Reviewer 2 Report
In the submitted manuscript the Authors present the synthesis and structural characterization of three related organic compounds. This kind of study is in the scope of Molbank. I think it can be published after the revisions listed below.
Lines 29-33, the Authors mention the biological activity of compounds containing 4,5-disubstituted-3-mercaptotriazolic heterocycle. It would be nice if they also present 2-3 examples of such molecules, in a form of a Figure together with the brief description of their biological activity.
Lines 35-46, I wish the Authors also performed some DFT calculations with NMR chemical shieldings calculations to prove this hypothesis. It is usually done in such “tautomeric” cases.
Compound 6, was the racemate obtained or one of the isomers is preferable?
The FT-IR spectrum of (4) is not present in the Supplementary Materials.
FT-IR spectra: why there are so many tick-numbers in them? Do they mean anything?
The FT-IR spectra should be briefly described, or at least the major bands should be assigned.
Author Response
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Round 2
Reviewer 2 Report
The Authors have revised and improved their manuscript. The current version can be accepted for publiaction.
Author Response
Dear Sir or Madam,
Thank you for your evaluation of manuscript molbank-1241749.
The Authors.
