N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]ethanamide

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]ethanamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)acetamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]acetamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)acetamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]acetamide Formula: C13H12N4OS MolecularWeight: 272.32558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=NN1)SCC2=CC=CC=C2)C#N

Isomeric SMILES

CC(=O)NC1=C(C(=NN1)SCC2=CC=CC=C2)C#N

InChI

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