3-(4-tert-butylphenyl)-5-(diphenylmethyl)sulfanyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-(diphenylmethyl)sulfanyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzhydrylsulfanyl-4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(diphenylmethyl)thio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzhydrylsulfanyl-4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazole Traditional Name: 3-(benzhydrylthio)-4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazole Formula: C32H31N3S MolecularWeight: 489.67364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H31N3S/c1-32(2,3)28-21-19-27(20-22-28)30-33-34-31(35(30)23-24-13-7-4-8-14-24)36-29(25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-22,29H,23H2,1-3H3