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

Systemtic Name: N-(3-methylphenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(m-tolyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-methylphenyl)-2-[[4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(m-tolyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C15H15N5OS MolecularWeight: 313.3775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=CN2N3C=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=CN2N3C=CC=C3

InChI

InChI=1S/C15H15N5OS/c1-12-5-4-6-13(9-12)17-14(21)10-22-15-18-16-11-20(15)19-7-2-3-8-19/h2-9,11H,10H2,1H3,(H,17,21)