2-butan-2-ylsulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-butan-2-ylsulfanylpyridine-3-carboxylic acid Openeye Name: 2-sec-butylsulfanylpyridine-3-carboxylic acid CAS Name: 2-(butan-2-ylthio)-3-pyridinecarboxylic acid IUPAC Name: 2-butan-2-ylsulfanylpyridine-3-carboxylic acid Traditional Name: 2-(sec-butylthio)nicotinic acid Formula: C10H13NO2S MolecularWeight: 211.28072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CCC(C)SC1=C(C=CC=N1)C(=O)O

InChI

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