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

Systemtic Name: 3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionitrile Formula: C12H12N4S MolecularWeight: 244.31548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4S/c1-9-3-5-10(6-4-9)11-14-12(16-15-11)17-8-2-7-13/h3-6H,2,8H2,1H3,(H,14,15,16)