2-[(2-cyanopyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-cyanopyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2-cyano-4-pyridyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2-cyano-4-pyridinyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-cyanopyridin-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2-cyano-4-pyridyl)methylthio]nicotinic acid Formula: C13H9N3O2S MolecularWeight: 271.29446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC(=NC=C2)C#N)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC(=NC=C2)C#N)C(=O)O

InChI

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