[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [1-(difluoromethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [1-(difluoromethyl)benzimidazol-2-yl]methyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [1-(difluoromethyl)benzimidazol-2-yl]methyl ester Formula: C21H15F2N3O2S MolecularWeight: 411.424506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=NC4=CC=CC=C4N3C(F)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=NC4=CC=CC=C4N3C(F)F

InChI

InChI=1S/C21H15F2N3O2S/c22-21(23)26-17-11-5-4-10-16(17)25-18(26)13-28-20(27)15-9-6-12-24-19(15)29-14-7-2-1-3-8-14/h1-12,21H,13H2