1-methyl-4-sulfanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-methyl-4-sulfanylidene-pyridine-3-carboxylic acid Openeye Name: 1-methyl-4-thioxo-pyridine-3-carboxylic acid CAS Name: 1-methyl-4-sulfanylidene-3-pyridinecarboxylic acid IUPAC Name: 1-methyl-4-sulfanylidenepyridine-3-carboxylic acid Traditional Name: 1-methyl-4-thioxo-nicotinic acid Formula: C7H7NO2S MolecularWeight: 169.20098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=S)C(=C1)C(=O)O

Isomeric SMILES

CN1C=CC(=S)C(=C1)C(=O)O

InChI

InChI=1S/C7H7NO2S/c1-8-3-2-6(11)5(4-8)7(9)10/h2-4H,1H3,(H,9,10)