2-pyridin-4-ylsulfanylpyridine-3-carboxylate

Systemtic Name: 2-pyridin-4-ylsulfanylpyridine-3-carboxylate Openeye Name: 2-(4-pyridylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(pyridin-4-ylthio)-3-pyridinecarboxylate IUPAC Name: 2-pyridin-4-ylsulfanylpyridine-3-carboxylate Traditional Name: 2-(4-pyridylthio)nicotinate Formula: C11H7N2O2S- MolecularWeight: 231.25048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=CC=NC=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SC2=CC=NC=C2)C(=O)[O-]

InChI

InChI=1S/C11H8N2O2S/c14-11(15)9-2-1-5-13-10(9)16-8-3-6-12-7-4-8/h1-7H,(H,14,15)/p-1