N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]naphthalene-2-sulfonamide

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]naphthalene-2-sulfonamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)naphthalene-2-sulfonamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-2-naphthalenesulfonamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)naphthalene-2-sulfonamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]naphthalene-2-sulfonamide Formula: C21H16N4O2S2 MolecularWeight: 420.50734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H16N4O2S2/c22-13-19-20(23-24-21(19)28-14-15-6-2-1-3-7-15)25-29(26,27)18-11-10-16-8-4-5-9-17(16)12-18/h1-12H,14H2,(H2,23,24,25)