2-(4-cyanopyridin-2-yl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(4-cyanopyridin-2-yl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(4-cyano-2-pyridyl)sulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(4-cyano-2-pyridinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-cyanopyridin-2-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(4-cyano-2-pyridyl)thio]nicotinic acid Formula: C12H7N3O2S MolecularWeight: 257.26788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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