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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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