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

Systemtic Name: 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]thio]nicotinic acid Formula: C13H9N3O3S2 MolecularWeight: 319.35886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC(=O)NC2=C(C=CS2)C#N)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC(=O)NC2=C(C=CS2)C#N)C(=O)O

InChI

InChI=1S/C13H9N3O3S2/c14-6-8-3-5-20-11(8)16-10(17)7-21-12-9(13(18)19)2-1-4-15-12/h1-5H,7H2,(H,16,17)(H,18,19)