4-(2,5-dimethylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid

Systemtic Name: 4-(2,5-dimethylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid Openeye Name: 4-(2,5-dimethylphenyl)-2-thioxo-1H-pyrimidine-6-carboxylic acid CAS Name: 4-(2,5-dimethylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid IUPAC Name: 4-(2,5-dimethylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid Traditional Name: 4-(2,5-dimethylphenyl)-2-thioxo-1H-pyrimidine-6-carboxylic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NC(=S)NC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC(=S)NC(=C2)C(=O)O

InChI

InChI=1S/C13H12N2O2S/c1-7-3-4-8(2)9(5-7)10-6-11(12(16)17)15-13(18)14-10/h3-6H,1-2H3,(H,16,17)(H,14,15,18)