N-[4-(4-cyanopyridin-2-yl)-3-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-pyrazol-5-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-(4-cyanopyridin-2-yl)-3-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-pyrazol-5-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-(4-cyano-2-pyridyl)-3-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-pyrazol-5-yl]-3-nitro-benzenesulfonamide CAS Name: N-[4-(4-cyano-2-pyridinyl)-3-[[3-(methylthio)phenyl]methylthio]-1H-pyrazol-5-yl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(4-cyanopyridin-2-yl)-3-[(3-methylsulfanylphenyl)methylsulfanyl]-1H-pyrazol-5-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(4-cyano-2-pyridyl)-3-[[3-(methylthio)benzyl]thio]-1H-pyrazol-5-yl]-3-nitro-benzenesulfonamide Formula: C23H18N6O4S3 MolecularWeight: 538.62182

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CSC2=NNC(=C2C3=NC=CC(=C3)C#N)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)CSC2=NNC(=C2C3=NC=CC(=C3)C#N)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N6O4S3/c1-34-18-6-2-4-16(10-18)14-35-23-21(20-11-15(13-24)8-9-25-20)22(26-27-23)28-36(32,33)19-7-3-5-17(12-19)29(30)31/h2-12H,14H2,1H3,(H2,26,27,28)