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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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