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

Systemtic Name: 1-[5-propylsulfanyl-6-(trifluoromethyloxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[5-propylsulfanyl-6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid CAS Name: 1-[5-(propylthio)-6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[5-propylsulfanyl-6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[5-(propylthio)-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:

CCCSC1=C(C=C2C(=C1)N=C(N2)N3C=C(C=N3)C(=O)O)OC(F)(F)F

Isomeric SMILES

CCCSC1=C(C=C2C(=C1)N=C(N2)N3C=C(C=N3)C(=O)O)OC(F)(F)F

InChI

InChI=1S/C15H13F3N4O3S/c1-2-3-26-12-5-10-9(4-11(12)25-15(16,17)18)20-14(21-10)22-7-8(6-19-22)13(23)24/h4-7H,2-3H2,1H3,(H,20,21)(H,23,24)