2-(cyanomethylsulfanyl)-6-pyridin-3-yl-pyridine-3-carboxylate

Systemtic Name: 2-(cyanomethylsulfanyl)-6-pyridin-3-yl-pyridine-3-carboxylate Openeye Name: 2-(cyanomethylsulfanyl)-6-(3-pyridyl)pyridine-3-carboxylate CAS Name: 2-(cyanomethylthio)-6-(3-pyridinyl)-3-pyridinecarboxylate IUPAC Name: 2-(cyanomethylsulfanyl)-6-pyridin-3-ylpyridine-3-carboxylate Traditional Name: 2-(cyanomethylthio)-6-(3-pyridyl)nicotinate Formula: C13H8N3O2S- MolecularWeight: 270.28652

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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)/p-1