1-[5-methylsulfonyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[5-methylsulfonyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[5-methylsulfonyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid CAS Name: 1-[5-methylsulfonyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[5-methylsulfonyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[5-mesyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Formula: C13H9F3N4O4S MolecularWeight: 374.29517

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1C(F)(F)F)NC(=N2)N3C=C(C=N3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1C(F)(F)F)NC(=N2)N3C=C(C=N3)C(=O)O

InChI

InChI=1S/C13H9F3N4O4S/c1-25(23,24)10-3-9-8(2-7(10)13(14,15)16)18-12(19-9)20-5-6(4-17-20)11(21)22/h2-5H,1H3,(H,18,19)(H,21,22)