4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-2-phenyl-butanenitrile

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-2-phenyl-butanenitrile Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-2-phenyl-butanenitrile CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-oxo-2-phenylbutanenitrile IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-2-phenylbutanenitrile Traditional Name: 3-keto-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-phenyl-butyronitrile Formula: C13H12N4OS MolecularWeight: 272.32558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)C(C#N)C2=CC=CC=C2

Isomeric SMILES

CN1C=NN=C1SCC(=O)C(C#N)C2=CC=CC=C2

InChI

InChI=1S/C13H12N4OS/c1-17-9-15-16-13(17)19-8-12(18)11(7-14)10-5-3-2-4-6-10/h2-6,9,11H,8H2,1H3