2-(4-bromophenyl)sulfanylpyridine-4-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)sulfanylpyridine-4-carboxylic acid Openeye Name: 2-(4-bromophenyl)sulfanylpyridine-4-carboxylic acid CAS Name: 2-[(4-bromophenyl)thio]-4-pyridinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)sulfanylpyridine-4-carboxylic acid Traditional Name: 2-[(4-bromophenyl)thio]isonicotinic acid Formula: C12H8BrNO2S MolecularWeight: 310.16642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8BrNO2S/c13-9-1-3-10(4-2-9)17-11-7-8(12(15)16)5-6-14-11/h1-7H,(H,15,16)