5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-2-phenyl-pentanenitrile

Systemtic Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxidanylidene-2-phenyl-pentanenitrile Openeye Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-2-phenyl-pentanenitrile CAS Name: 5-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-oxo-2-phenylpentanenitrile IUPAC Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-2-phenylpentanenitrile Traditional Name: 3-keto-5-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-phenyl-valeronitrile Formula: C14H14N4OS MolecularWeight: 286.35216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCCC(=O)C(C#N)C2=CC=CC=C2

Isomeric SMILES

CN1C=NN=C1SCCC(=O)C(C#N)C2=CC=CC=C2

InChI

InChI=1S/C14H14N4OS/c1-18-10-16-17-14(18)20-8-7-13(19)12(9-15)11-5-3-2-4-6-11/h2-6,10,12H,7-8H2,1H3