2-(cyanomethylsulfanyl)-6-pyridin-3-yl-pyridine-3-carboxylic acid

Systemtic Name: 2-(cyanomethylsulfanyl)-6-pyridin-3-yl-pyridine-3-carboxylic acid Openeye Name: 2-(cyanomethylsulfanyl)-6-(3-pyridyl)pyridine-3-carboxylic acid CAS Name: 2-(cyanomethylthio)-6-(3-pyridinyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carboxylic acid Traditional Name: 2-(cyanomethylthio)-6-(3-pyridyl)nicotinic acid Formula: C13H9N3O2S MolecularWeight: 271.29446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=C(C=C2)C(=O)O)SCC#N

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=C(C=C2)C(=O)O)SCC#N

InChI

InChI=1S/C13H9N3O2S/c14-5-7-19-12-10(13(17)18)3-4-11(16-12)9-2-1-6-15-8-9/h1-4,6,8H,7H2,(H,17,18)