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

Systemtic Name: (4-methoxyphenyl) 5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: (4-methoxyphenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(4-fluorophenyl)methylthio]-4-pyrimidinecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(4-fluorobenzyl)thio]pyrimidine-4-carboxylic acid (4-methoxyphenyl) ester Formula: C19H14ClFN2O3S MolecularWeight: 404.842463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H14ClFN2O3S/c1-25-14-6-8-15(9-7-14)26-18(24)17-16(20)10-22-19(23-17)27-11-12-2-4-13(21)5-3-12/h2-10H,11H2,1H3