(4-ethanoyl-3-methyl-phenyl) 5-chloranyl-2-[(2-chlorophenyl)methylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: (4-ethanoyl-3-methyl-phenyl) 5-chloranyl-2-[(2-chlorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: (4-acetyl-3-methyl-phenyl) 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(2-chlorophenyl)methylthio]-4-pyrimidinecarboxylic acid (4-acetyl-3-methylphenyl) ester IUPAC Name: (4-acetyl-3-methylphenyl) 5-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(2-chlorobenzyl)thio]pyrimidine-4-carboxylic acid (4-acetyl-3-methyl-phenyl) ester Formula: C21H16Cl2N2O3S MolecularWeight: 447.33434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3Cl)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3Cl)C(=O)C

InChI

InChI=1S/C21H16Cl2N2O3S/c1-12-9-15(7-8-16(12)13(2)26)28-20(27)19-18(23)10-24-21(25-19)29-11-14-5-3-4-6-17(14)22/h3-10H,11H2,1-2H3