ethyl 2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 2-phenyl-4-[[3-(trifluoromethyl)phenyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 2-phenyl-4-[[3-(trifluoromethyl)phenyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H15F3N2O2S MolecularWeight: 404.40551

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C20H15F3N2O2S/c1-2-27-19(26)16-12-24-17(13-7-4-3-5-8-13)25-18(16)28-15-10-6-9-14(11-15)20(21,22)23/h3-12H,2H2,1H3