4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C13H14N4S MolecularWeight: 258.34206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCCCC#N

InChI

InChI=1S/C13H14N4S/c1-10-4-6-11(7-5-10)12-15-13(17-16-12)18-9-3-2-8-14/h4-7H,2-3,9H2,1H3,(H,15,16,17)