4-hexyl-N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-hexyl-N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-4-hexyl-benzamide CAS Name: 4-hexyl-N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-hexylbenzamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-4-hexyl-benzamide Formula: C30H34N4OS MolecularWeight: 498.68216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=CC=C4

InChI

InChI=1S/C30H34N4OS/c1-3-4-5-7-10-24-15-17-26(18-16-24)29(35)31-21-28-32-33-30(36-22-25-11-8-6-9-12-25)34(28)27-19-13-23(2)14-20-27/h6,8-9,11-20H,3-5,7,10,21-22H2,1-2H3,(H,31,35)