(3,5-dimethylphenyl) 5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: (3,5-dimethylphenyl) 5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: (3,5-dimethylphenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(4-fluorophenyl)methylthio]-4-pyrimidinecarboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(4-fluorobenzyl)thio]pyrimidine-4-carboxylic acid (3,5-dimethylphenyl) ester Formula: C20H16ClFN2O2S MolecularWeight: 402.869643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H16ClFN2O2S/c1-12-7-13(2)9-16(8-12)26-19(25)18-17(21)10-23-20(24-18)27-11-14-3-5-15(22)6-4-14/h3-10H,11H2,1-2H3