2-(3-cyanopropylsulfanyl)pyridine-3-carboxylate

Systemtic Name: 2-(3-cyanopropylsulfanyl)pyridine-3-carboxylate Openeye Name: 2-(3-cyanopropylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(3-cyanopropylthio)-3-pyridinecarboxylate IUPAC Name: 2-(3-cyanopropylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(3-cyanopropylthio)nicotinate Formula: C10H9N2O2S- MolecularWeight: 221.25566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCCC#N)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SCCCC#N)C(=O)[O-]

InChI

InChI=1S/C10H10N2O2S/c11-5-1-2-7-15-9-8(10(13)14)4-3-6-12-9/h3-4,6H,1-2,7H2,(H,13,14)/p-1