5-butyl-3-sulfanyl-pyridine-2-carboxylic acid

Systemtic Name: 5-butyl-3-sulfanyl-pyridine-2-carboxylic acid Openeye Name: 5-butyl-3-sulfanyl-pyridine-2-carboxylic acid CAS Name: 5-butyl-3-mercapto-2-pyridinecarboxylic acid IUPAC Name: 5-butyl-3-sulfanylpyridine-2-carboxylic acid Traditional Name: 5-butyl-3-mercapto-picolinic acid Formula: C10H13NO2S MolecularWeight: 211.28072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(N=C1)C(=O)O)S

Isomeric SMILES

CCCCC1=CC(=C(N=C1)C(=O)O)S

InChI

InChI=1S/C10H13NO2S/c1-2-3-4-7-5-8(14)9(10(12)13)11-6-7/h5-6,14H,2-4H2,1H3,(H,12,13)