4-[1-methyl-2-[[3-(trifluoromethylsulfanyl)phenyl]amino]benzimidazol-5-yl]oxypyridine-2-carboxylic acid

Systemtic Name: 4-[1-methyl-2-[[3-(trifluoromethylsulfanyl)phenyl]amino]benzimidazol-5-yl]oxypyridine-2-carboxylic acid Openeye Name: 4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxylic acid CAS Name: 4-[[1-methyl-2-[3-(trifluoromethylthio)anilino]-5-benzimidazolyl]oxy]-2-pyridinecarboxylic acid IUPAC Name: 4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxylic acid Traditional Name: 4-[1-methyl-2-[3-(trifluoromethylthio)anilino]benzimidazol-5-yl]oxypicolinic acid Formula: C21H15F3N4O3S MolecularWeight: 460.42901

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)O)N=C1NC4=CC(=CC=C4)SC(F)(F)F

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)O)N=C1NC4=CC(=CC=C4)SC(F)(F)F

InChI

InChI=1S/C21H15F3N4O3S/c1-28-18-6-5-13(31-14-7-8-25-17(11-14)19(29)30)10-16(18)27-20(28)26-12-3-2-4-15(9-12)32-21(22,23)24/h2-11H,1H3,(H,26,27)(H,29,30)