N-(2-cyanoethyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(1-methyl-5-tetrazolyl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(1-methyltetrazol-5-yl)thio]-N-phenyl-acetamide Formula: C13H14N6OS MolecularWeight: 302.35486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C13H14N6OS/c1-18-13(15-16-17-18)21-10-12(20)19(9-5-8-14)11-6-3-2-4-7-11/h2-4,6-7H,5,9-10H2,1H3