1-methyl-2-sulfanylidene-pyridine-4-carboxylic acid

Systemtic Name: 1-methyl-2-sulfanylidene-pyridine-4-carboxylic acid Openeye Name: 1-methyl-2-thioxo-pyridine-4-carboxylic acid CAS Name: 1-methyl-2-sulfanylidene-4-pyridinecarboxylic acid IUPAC Name: 1-methyl-2-sulfanylidenepyridine-4-carboxylic acid Traditional Name: 1-methyl-2-thioxo-isonicotinic acid Formula: C7H7NO2S MolecularWeight: 169.20098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=S)C(=O)O

Isomeric SMILES

CN1C=CC(=CC1=S)C(=O)O

InChI

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