2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-pyridin-3-ylethyl)ethanamide

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-pyridin-3-ylethyl)ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-(3-pyridyl)ethyl]acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[2-(3-pyridinyl)ethyl]acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[2-(3-pyridyl)ethyl]acetamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NCCC3=CN=CC=C3

InChI

InChI=1S/C18H19N5OS/c1-13-4-2-6-15(10-13)17-21-22-18(25)23(17)12-16(24)20-9-7-14-5-3-8-19-11-14/h2-6,8,10-11H,7,9,12H2,1H3,(H,20,24)(H,22,25)