2-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl]thio]nicotinic acid Formula: C13H10ClN3O3S MolecularWeight: 323.7548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NC2=C(N=CC=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NC2=C(N=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C13H10ClN3O3S/c14-11-9(4-2-5-15-11)17-10(18)7-21-12-8(13(19)20)3-1-6-16-12/h1-6H,7H2,(H,17,18)(H,19,20)