2-[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl]thio]nicotinic acid Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C17H15N3O3S/c18-9-5-11-20(13-6-2-1-3-7-13)15(21)12-24-16-14(17(22)23)8-4-10-19-16/h1-4,6-8,10H,5,11-12H2,(H,22,23)