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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN(C(=C2)C3=CC=C(C=C3)Cl)NS(=O)(=O)C4=CC=CC=C4

InChI

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