2-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanenitrile

Systemtic Name: 2-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanenitrile Openeye Name: 2-[4-(2,4-dimethylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]acetonitrile CAS Name: 2-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetonitrile IUPAC Name: 2-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetonitrile Traditional Name: 2-[4-(2,4-dimethylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]acetonitrile Formula: C12H12N4S MolecularWeight: 244.31548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NNC2=S)CC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NNC2=S)CC#N)C

InChI

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