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

Systemtic Name: N-(2-methylphenyl)-2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(o-tolyl)-2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-methylphenyl)-2-[[5-phenyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methylphenyl)-2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(o-tolyl)-2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5OS/c1-16-9-5-6-12-18(16)22-19(27)15-28-21-24-23-20(17-10-3-2-4-11-17)26(21)25-13-7-8-14-25/h2-14H,15H2,1H3,(H,22,27)