2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]nicotinic acid Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC2=C(C=CC=N2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC2=C(C=CC=N2)C(=O)O)C

InChI

InChI=1S/C14H11N3O2S/c1-8-6-9(2)17-13(11(8)7-15)20-12-10(14(18)19)4-3-5-16-12/h3-6H,1-2H3,(H,18,19)