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

Systemtic Name: 2-[[5-(4-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-phenyl-2-[[5-(p-tolyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-methylphenyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-(4-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-phenyl-2-[[5-(p-tolyl)-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=C(C=C1)C2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

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

InChI

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