1-(4-sulfamoylphenyl)-5-[4-(trifluoromethylsulfanyl)phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethylsulfanyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethylsulfanyl)phenyl]pyrazole-3-carboxylic acid CAS Name: 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethylthio)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethylsulfanyl)phenyl]pyrazole-3-carboxylic acid Traditional Name: 1-(4-sulfamoylphenyl)-5-[4-(trifluoromethylthio)phenyl]pyrazole-3-carboxylic acid Formula: C17H12F3N3O4S2 MolecularWeight: 443.42009

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O)SC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O)SC(F)(F)F

InChI

InChI=1S/C17H12F3N3O4S2/c18-17(19,20)28-12-5-1-10(2-6-12)15-9-14(16(24)25)22-23(15)11-3-7-13(8-4-11)29(21,26)27/h1-9H,(H,24,25)(H2,21,26,27)