N-[[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[4-(2,4-dichlorophenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2,2-diphenyl-acetamide CAS Name: N-[[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-2,2-diphenylacetamide IUPAC Name: N-[[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2,2-diphenylacetamide Traditional Name: N-[[4-(2,4-dichlorophenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-2,2-diphenyl-acetamide Formula: C31H26Cl2N4OS MolecularWeight: 573.53534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)CNC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)CNC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H26Cl2N4OS/c1-21-10-8-9-15-24(21)20-39-31-36-35-28(37(31)27-17-16-25(32)18-26(27)33)19-34-30(38)29(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-18,29H,19-20H2,1H3,(H,34,38)