N-(4-methylphenyl)-2-(3-methyl-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-(4-methylphenyl)-2-(3-methyl-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanamide Openeye Name: 2-(3-methyl-4-pyrrol-1-yl-5-thioxo-1,2,4-triazol-1-yl)-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[3-methyl-4-(1-pyrrolyl)-5-sulfanylidene-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(4-methylphenyl)-2-(3-methyl-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)acetamide Traditional Name: 2-(3-methyl-4-pyrrol-1-yl-5-thioxo-1,2,4-triazol-1-yl)-N-(p-tolyl)acetamide Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C)N3C=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C)N3C=CC=C3

InChI

InChI=1S/C16H17N5OS/c1-12-5-7-14(8-6-12)17-15(22)11-20-16(23)21(13(2)18-20)19-9-3-4-10-19/h3-10H,11H2,1-2H3,(H,17,22)