ethyl 4-(trifluoromethyl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(trifluoromethyl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(trifluoromethyl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-(trifluoromethyl)-2-[(2,4,6-trimethylphenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(trifluoromethyl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-(trifluoromethyl)-2-[(2,4,6-trimethylbenzyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19F3N2O2S MolecularWeight: 384.41587

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)SCC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)SCC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C18H19F3N2O2S/c1-5-25-16(24)13-8-22-17(23-15(13)18(19,20)21)26-9-14-11(3)6-10(2)7-12(14)4/h6-8H,5,9H2,1-4H3