2-[3-[3,5-bis(chloranyl)phenyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[3-[3,5-bis(chloranyl)phenyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-(3,5-dichlorophenyl)-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[3-(3,5-dichlorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[3-(3,5-dichlorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[3-(3,5-dichlorophenyl)-4-keto-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C12H8Cl2N2O3S MolecularWeight: 331.17452

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1Cl)Cl)N2C(=O)C(=CNC2=S)CC(=O)O

Isomeric SMILES

C1=C(C=C(C=C1Cl)Cl)N2C(=O)C(=CNC2=S)CC(=O)O

InChI

InChI=1S/C12H8Cl2N2O3S/c13-7-2-8(14)4-9(3-7)16-11(19)6(1-10(17)18)5-15-12(16)20/h2-5H,1H2,(H,15,20)(H,17,18)