2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidine-4,6-dione

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidine-4,6-dione Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidine-4,6-dione CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-1H-pyrimidine-4,6-dione IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1H-pyrimidine-4,6-dione Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-1H-pyrimidine-4,6-quinone Formula: C12H9ClN2O3S MolecularWeight: 296.72946

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1C(=O)NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H9ClN2O3S/c13-8-3-1-7(2-4-8)9(16)6-19-12-14-10(17)5-11(18)15-12/h1-4H,5-6H2,(H,14,15,17,18)