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

Systemtic Name: 4-[[4-(2-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide Openeye Name: 4-[[4-(o-tolyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide CAS Name: 4-[[4-(2-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenethylbutanamide IUPAC Name: 4-[[4-(2-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylbutanamide Traditional Name: 4-[[4-(o-tolyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-butyramide Formula: C28H30N4OS MolecularWeight: 470.629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3C)SCCCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3C)SCCCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4OS/c1-21-14-16-24(17-15-21)27-30-31-28(32(27)25-12-7-6-9-22(25)2)34-20-8-13-26(33)29-19-18-23-10-4-3-5-11-23/h3-7,9-12,14-17H,8,13,18-20H2,1-2H3,(H,29,33)