2-(2-sulfanylidenepropyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(2-sulfanylidenepropyl)pyridine-3-carboxylic acid Openeye Name: 2-(2-thioxopropyl)pyridine-3-carboxylic acid CAS Name: 2-(2-sulfanylidenepropyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(2-sulfanylidenepropyl)pyridine-3-carboxylic acid Traditional Name: 2-(2-thioxopropyl)nicotinic acid Formula: C9H9NO2S MolecularWeight: 195.23826

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)CC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CC(=S)CC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C9H9NO2S/c1-6(13)5-8-7(9(11)12)3-2-4-10-8/h2-4H,5H2,1H3,(H,11,12)