4-chloranyl-N-(4-cyano-5-phenyl-1H-pyrazol-3-yl)-5-methyl-2-sulfanyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(4-cyano-5-phenyl-1H-pyrazol-3-yl)-5-methyl-2-sulfanyl-benzenesulfonamide Openeye Name: 4-chloro-N-(4-cyano-5-phenyl-1H-pyrazol-3-yl)-5-methyl-2-sulfanyl-benzenesulfonamide CAS Name: 4-chloro-N-(4-cyano-5-phenyl-1H-pyrazol-3-yl)-2-mercapto-5-methylbenzenesulfonamide IUPAC Name: 4-chloro-N-(4-cyano-5-phenyl-1H-pyrazol-3-yl)-5-methyl-2-sulfanylbenzenesulfonamide Traditional Name: 4-chloro-N-(4-cyano-5-phenyl-1H-pyrazol-3-yl)-2-mercapto-5-methyl-benzenesulfonamide Formula: C17H13ClN4O2S2 MolecularWeight: 404.89372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=C2C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C17H13ClN4O2S2/c1-10-7-15(14(25)8-13(10)18)26(23,24)22-17-12(9-19)16(20-21-17)11-5-3-2-4-6-11/h2-8,25H,1H3,(H2,20,21,22)