1-[2,4-bis(fluoranyl)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid Formula: C17H12F2N2O4S MolecularWeight: 378.349986

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=C(C=C(C=C3)F)F)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=C(C=C(C=C3)F)F)C(=O)O

InChI

InChI=1S/C17H12F2N2O4S/c1-26(24,25)12-5-2-10(3-6-12)16-9-14(17(22)23)20-21(16)15-7-4-11(18)8-13(15)19/h2-9H,1H3,(H,22,23)