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

Systemtic Name: 4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C17H22N4S MolecularWeight: 314.44838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCCCC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCCCC#N

InChI

InChI=1S/C17H22N4S/c1-17(2,3)14-9-7-13(8-10-14)15-19-20-16(21(15)4)22-12-6-5-11-18/h7-10H,5-6,12H2,1-4H3