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

Systemtic Name: 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(m-tolyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(m-tolyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C26H26N4OS MolecularWeight: 442.57584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCC3=CC=CC=C3)C4=CC(=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCC3=CC=CC=C3)C4=CC(=CC=C4)C

InChI

InChI=1S/C26H26N4OS/c1-19-11-13-23(14-12-19)30-25(22-10-6-7-20(2)17-22)28-29-26(30)32-18-24(31)27-16-15-21-8-4-3-5-9-21/h3-14,17H,15-16,18H2,1-2H3,(H,27,31)