2-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C27H26N4S MolecularWeight: 438.58714

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)SCC4=CC=CC=C4C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C27H26N4S/c1-27(2,3)24-15-13-21(14-16-24)25-29-30-26(31(25)18-20-9-5-4-6-10-20)32-19-23-12-8-7-11-22(23)17-28/h4-16H,18-19H2,1-3H3