2-[(2,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-6-carboxylic acid

Systemtic Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-6-carboxylic acid Openeye Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-6-carboxylic acid CAS Name: 2-[(2,4-dichlorophenyl)methylthio]-4-oxo-1H-pyrimidine-6-carboxylic acid IUPAC Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-6-carboxylic acid Traditional Name: 2-[(2,4-dichlorobenzyl)thio]-4-keto-1H-pyrimidine-6-carboxylic acid Formula: C12H8Cl2N2O3S MolecularWeight: 331.17452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CSC2=NC(=O)C=C(N2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CSC2=NC(=O)C=C(N2)C(=O)O

InChI

InChI=1S/C12H8Cl2N2O3S/c13-7-2-1-6(8(14)3-7)5-20-12-15-9(11(18)19)4-10(17)16-12/h1-4H,5H2,(H,18,19)(H,15,16,17)