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

Systemtic Name: N-(4-methylphenyl)-2-[[5-(3-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(m-tolyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[5-(3-methylphenyl)-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[[5-(3-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(m-tolyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC(=CC=C4)C

InChI

InChI=1S/C22H21N5OS/c1-16-8-10-19(11-9-16)23-20(28)15-29-22-25-24-21(18-7-5-6-17(2)14-18)27(22)26-12-3-4-13-26/h3-14H,15H2,1-2H3,(H,23,28)