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

Systemtic Name: 2-(4-acetamidophenyl)sulfanylpyridine-4-carboxylic acid Openeye Name: 2-(4-acetamidophenyl)sulfanylpyridine-4-carboxylic acid CAS Name: 2-[(4-acetamidophenyl)thio]-4-pyridinecarboxylic acid IUPAC Name: 2-(4-acetamidophenyl)sulfanylpyridine-4-carboxylic acid Traditional Name: 2-[(4-acetamidophenyl)thio]isonicotinic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SC2=NC=CC(=C2)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2=NC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H12N2O3S/c1-9(17)16-11-2-4-12(5-3-11)20-13-8-10(14(18)19)6-7-15-13/h2-8H,1H3,(H,16,17)(H,18,19)