ethyl 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-fluorophenyl)pyrimidine-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)F)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)F)SCC3=CC=C(C=C3)Cl

InChI

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