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

Systemtic Name: 4-[5-(2-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[5-(2-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-[2-(methylthio)phenyl]-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-(2-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-[2-(methylthio)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C17H14F3N3O2S2 MolecularWeight: 413.43717

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

Isomeric SMILES

CSC1=CC=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

InChI

InChI=1S/C17H14F3N3O2S2/c1-26-15-5-3-2-4-13(15)14-10-16(17(18,19)20)22-23(14)11-6-8-12(9-7-11)27(21,24)25/h2-10H,1H3,(H2,21,24,25)