4-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid Openeye Name: 4-(p-tolyl)-2-thioxo-1H-pyrimidine-6-carboxylic acid CAS Name: 4-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid IUPAC Name: 4-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid Traditional Name: 4-(p-tolyl)-2-thioxo-1H-pyrimidine-6-carboxylic acid Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O2S/c1-7-2-4-8(5-3-7)9-6-10(11(15)16)14-12(17)13-9/h2-6H,1H3,(H,15,16)(H,13,14,17)