3-(3-methylsulfanylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 3-(3-methylsulfanylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-(3-methylsulfanylphenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 3-[3-(methylthio)phenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(3-methylsulfanylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-keto-3-[3-(methylthio)phenyl]-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C12H10N2O3S2 MolecularWeight: 294.3494

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2C(=O)C(=CNC2=S)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)N2C(=O)C(=CNC2=S)C(=O)O

InChI

InChI=1S/C12H10N2O3S2/c1-19-8-4-2-3-7(5-8)14-10(15)9(11(16)17)6-13-12(14)18/h2-6H,1H3,(H,13,18)(H,16,17)