6-(2-oxidanylidenepropylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 6-(2-oxidanylidenepropylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 6-acetonylsulfanylpyridine-3-carboxylic acid CAS Name: 6-(2-oxopropylthio)-3-pyridinecarboxylic acid IUPAC Name: 6-(2-oxopropylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 6-(acetonylthio)nicotinic acid Formula: C9H9NO3S MolecularWeight: 211.23766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC=C(C=C1)C(=O)O

Isomeric SMILES

CC(=O)CSC1=NC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H9NO3S/c1-6(11)5-14-8-3-2-7(4-10-8)9(12)13/h2-4H,5H2,1H3,(H,12,13)