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

Systemtic Name: 1-[5-propan-2-ylsulfanyl-6-(trifluoromethyloxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[5-isopropylsulfanyl-6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid CAS Name: 1-[5-(propan-2-ylthio)-6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[5-propan-2-ylsulfanyl-6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[5-(isopropylthio)-6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Formula: C15H13F3N4O3S MolecularWeight: 386.34893

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=C2C(=C1)N=C(N2)N3C=C(C=N3)C(=O)O)OC(F)(F)F

Isomeric SMILES

CC(C)SC1=C(C=C2C(=C1)N=C(N2)N3C=C(C=N3)C(=O)O)OC(F)(F)F

InChI

InChI=1S/C15H13F3N4O3S/c1-7(2)26-12-4-10-9(3-11(12)25-15(16,17)18)20-14(21-10)22-6-8(5-19-22)13(23)24/h3-7H,1-2H3,(H,20,21)(H,23,24)