2-(6-acetamidopyridin-3-yl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(6-acetamidopyridin-3-yl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(6-acetamido-3-pyridyl)sulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(6-acetamido-3-pyridinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(6-acetamidopyridin-3-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(6-acetamido-3-pyridyl)thio]nicotinic acid Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(C=C1)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(=O)NC1=NC=C(C=C1)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H11N3O3S/c1-8(17)16-11-5-4-9(7-15-11)20-12-10(13(18)19)3-2-6-14-12/h2-7H,1H3,(H,18,19)(H,15,16,17)