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

Systemtic Name: 1-[6-methylsulfonyl-5-(trifluoromethyloxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[6-methylsulfonyl-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid CAS Name: 1-[6-methylsulfonyl-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[6-methylsulfonyl-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[6-mesyl-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Formula: C13H9F3N4O5S MolecularWeight: 390.29457

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C2C(=C1)NC(=N2)N3C=C(C=N3)C(=O)O)OC(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=C2C(=C1)NC(=N2)N3C=C(C=N3)C(=O)O)OC(F)(F)F

InChI

InChI=1S/C13H9F3N4O5S/c1-26(23,24)10-3-8-7(2-9(10)25-13(14,15)16)18-12(19-8)20-5-6(4-17-20)11(21)22/h2-5H,1H3,(H,18,19)(H,21,22)