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Department of Chemistry, Mangalore University, Mangalagangothri, Mangaluru 574 199, Karnataka, India
Author to whom correspondence should be addressed.
Molbank 2019, 2019(1), M1055;
Received: 27 February 2019 / Revised: 27 March 2019 / Accepted: 28 March 2019 / Published: 29 March 2019
(This article belongs to the Collection Molecules from Catalytic Processes)
4-Amino-5-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (1) upon treatment with 3,4-dimethoxybenzaldehyde in 10 mL of absolute ethanol in the presence of a catalytic amount of acetic acid produced the target compound 4-[(3,4-dimethoxybenzylidene)amino]-5-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (2) in 80% yield. The obtained solid product was recrystallized from ethanol. The compound was characterized by elemental analyses, mass spectrometry, FT-IR, 1H and 13C-NMR spectroscopy. To study the binding interactions of the compound with receptor, it was docked with the human prostaglandin reductase (PTGR2). The docking pose and noncovalent interactions gave insights into its plausible inhibitory action. View Full-Text
Keywords: 1,2,4-triazole-3-thione; molecular docking; prostaglandin reductase 1,2,4-triazole-3-thione; molecular docking; prostaglandin reductase
MDPI and ACS Style

Nayak, S.G.; Poojary, B. 4-[(3,4-Dimethoxybenzylidene)amino]-5-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione. Molbank 2019, 2019, M1055.

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