4-(3-cyanopyridin-2-yl)sulfanylbenzoate

Systemtic Name: 4-(3-cyanopyridin-2-yl)sulfanylbenzoate Openeye Name: 4-[(3-cyano-2-pyridyl)sulfanyl]benzoate CAS Name: 4-[(3-cyano-2-pyridinyl)thio]benzoate IUPAC Name: 4-(3-cyanopyridin-2-yl)sulfanylbenzoate Traditional Name: 4-[(3-cyano-2-pyridyl)thio]benzoate Formula: C13H7N2O2S- MolecularWeight: 255.27188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N2O2S/c14-8-10-2-1-7-15-12(10)18-11-5-3-9(4-6-11)13(16)17/h1-7H,(H,16,17)/p-1