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

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]methanesulfonamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)methanesulfonamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]methanesulfonamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)methanesulfonamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]methanesulfonamide Formula: C12H12N4O2S2 MolecularWeight: 308.37928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O2S2/c1-20(17,18)16-11-10(7-13)12(15-14-11)19-8-9-5-3-2-4-6-9/h2-6H,8H2,1H3,(H2,14,15,16)