(4-chloranyl-2-ethanoyl-phenyl) 5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: (4-chloranyl-2-ethanoyl-phenyl) 5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: (2-acetyl-4-chloro-phenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(4-fluorophenyl)methylthio]-4-pyrimidinecarboxylic acid (2-acetyl-4-chlorophenyl) ester IUPAC Name: (2-acetyl-4-chlorophenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(4-fluorobenzyl)thio]pyrimidine-4-carboxylic acid (2-acetyl-4-chloro-phenyl) ester Formula: C20H13Cl2FN2O3S MolecularWeight: 451.298223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)Cl)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)Cl)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H13Cl2FN2O3S/c1-11(26)15-8-13(21)4-7-17(15)28-19(27)18-16(22)9-24-20(25-18)29-10-12-2-5-14(23)6-3-12/h2-9H,10H2,1H3