3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-(3-chloro-4-methyl-phenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 3-(3-chloro-4-methylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(3-chloro-4-methylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 3-(3-chloro-4-methyl-phenyl)-4-keto-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C12H9ClN2O3S MolecularWeight: 296.72946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O3S/c1-6-2-3-7(4-9(6)13)15-10(16)8(11(17)18)5-14-12(15)19/h2-5H,1H3,(H,14,19)(H,17,18)