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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3F

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3F

InChI

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