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

Systemtic Name: 4-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C23H26N4S MolecularWeight: 390.54434

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)SCCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4S/c1-23(2,3)20-13-11-19(12-14-20)21-25-26-22(28-16-8-7-15-24)27(21)17-18-9-5-4-6-10-18/h4-6,9-14H,7-8,16-17H2,1-3H3