6-[3,4-bis(fluoranyl)phenyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-[3,4-bis(fluoranyl)phenyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid CAS Name: 6-[(3,4-difluorophenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[(3,4-difluorophenyl)thio]nicotinic acid Formula: C12H7F2NO2S MolecularWeight: 267.251286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC2=NC=C(C=C2)C(=O)O)F)F

Isomeric SMILES

C1=CC(=C(C=C1SC2=NC=C(C=C2)C(=O)O)F)F

InChI

InChI=1S/C12H7F2NO2S/c13-9-3-2-8(5-10(9)14)18-11-4-1-7(6-15-11)12(16)17/h1-6H,(H,16,17)