2-(5-cyanopyridin-2-yl)sulfanylpyridine-3-carboxylate

Systemtic Name: 2-(5-cyanopyridin-2-yl)sulfanylpyridine-3-carboxylate Openeye Name: 2-[(5-cyano-2-pyridyl)sulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-cyano-2-pyridinyl)thio]-3-pyridinecarboxylate IUPAC Name: 2-(5-cyanopyridin-2-yl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(5-cyano-2-pyridyl)thio]nicotinate Formula: C12H6N3O2S- MolecularWeight: 256.25994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7N3O2S/c13-6-8-3-4-10(15-7-8)18-11-9(12(16)17)2-1-5-14-11/h1-5,7H,(H,16,17)/p-1