3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methylpyridin-2-yl)propanamide

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methylpyridin-2-yl)propanamide Openeye Name: N-(6-methyl-2-pyridyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methyl-2-pyridinyl)propanamide IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-methylpyridin-2-yl)propanamide Traditional Name: N-(6-methyl-2-pyridyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)CCN2C(=NNC2=S)C3=CC(=CC=C3)C

InChI

InChI=1S/C18H19N5OS/c1-12-5-3-7-14(11-12)17-21-22-18(25)23(17)10-9-16(24)20-15-8-4-6-13(2)19-15/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,19,20,24)