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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C

InChI

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