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

Systemtic Name: 2-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl]thio]nicotinic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C12H13N3O3S/c1-15(7-3-5-13)10(16)8-19-11-9(12(17)18)4-2-6-14-11/h2,4,6H,3,7-8H2,1H3,(H,17,18)