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

Systemtic Name: 3-(4-methylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-oxo-3-(p-tolyl)-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-keto-3-(p-tolyl)-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C12H10N2O3S MolecularWeight: 262.2844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNC2=S)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CNC2=S)C(=O)O

InChI

InChI=1S/C12H10N2O3S/c1-7-2-4-8(5-3-7)14-10(15)9(11(16)17)6-13-12(14)18/h2-6H,1H3,(H,13,18)(H,16,17)