2-butylsulfanylpyridine-4-carboxylic acid

Systemtic Name: 2-butylsulfanylpyridine-4-carboxylic acid Openeye Name: 2-butylsulfanylpyridine-4-carboxylic acid CAS Name: 2-(butylthio)-4-pyridinecarboxylic acid IUPAC Name: 2-butylsulfanylpyridine-4-carboxylic acid Traditional Name: 2-(butylthio)isonicotinic acid Formula: C10H13NO2S MolecularWeight: 211.28072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=CC(=C1)C(=O)O

Isomeric SMILES

CCCCSC1=NC=CC(=C1)C(=O)O

InChI

InChI=1S/C10H13NO2S/c1-2-3-6-14-9-7-8(10(12)13)4-5-11-9/h4-5,7H,2-3,6H2,1H3,(H,12,13)