2-(2-bromanyl-5-fluoranyl-phenyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(2-bromanyl-5-fluoranyl-phenyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(2-bromo-5-fluoro-phenyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(2-bromo-5-fluorophenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(2-bromo-5-fluorophenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2-bromo-5-fluoro-phenyl)thio]nicotinic acid Formula: C12H7BrFNO2S MolecularWeight: 328.156883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=C(C=CC(=C2)F)Br)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SC2=C(C=CC(=C2)F)Br)C(=O)O

InChI

InChI=1S/C12H7BrFNO2S/c13-9-4-3-7(14)6-10(9)18-11-8(12(16)17)2-1-5-15-11/h1-6H,(H,16,17)