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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC=CC=C4

InChI

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