N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide CAS Name: N-[5-(4-chlorophenyl)-3-[2-(methylthio)phenyl]-1-pyrazolyl]benzenesulfonamide IUPAC Name: N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: N-[5-(4-chlorophenyl)-3-[2-(methylthio)phenyl]pyrazol-1-yl]benzenesulfonamide Formula: C22H18ClN3O2S2 MolecularWeight: 455.98022

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=NN(C(=C2)C3=CC=C(C=C3)Cl)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1C2=NN(C(=C2)C3=CC=C(C=C3)Cl)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O2S2/c1-29-22-10-6-5-9-19(22)20-15-21(16-11-13-17(23)14-12-16)26(24-20)25-30(27,28)18-7-3-2-4-8-18/h2-15,25H,1H3