4-(3,4-dichlorophenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-6-carboxylic acid

Systemtic Name: 4-(3,4-dichlorophenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-6-carboxylic acid Openeye Name: 4-(3,4-dichlorophenyl)-2-thioxo-5,6-dihydro-1H-pyrimidine-6-carboxylic acid CAS Name: 4-(3,4-dichlorophenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-6-carboxylic acid IUPAC Name: 4-(3,4-dichlorophenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-6-carboxylic acid Traditional Name: 4-(3,4-dichlorophenyl)-2-thioxo-5,6-dihydro-1H-pyrimidine-6-carboxylic acid Formula: C11H8Cl2N2O2S MolecularWeight: 303.16442

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=S)N=C1C2=CC(=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

C1C(NC(=S)N=C1C2=CC(=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C11H8Cl2N2O2S/c12-6-2-1-5(3-7(6)13)8-4-9(10(16)17)15-11(18)14-8/h1-3,9H,4H2,(H,15,18)(H,16,17)