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

Systemtic Name: ethyl 2-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[[3-(trifluoromethyl)phenyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[[3-(trifluoromethyl)phenyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H13F3N2O2S2 MolecularWeight: 374.40113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F3N2O2S2/c1-3-22-13(21)11-8-19-14(23-2)20-12(11)24-10-6-4-5-9(7-10)15(16,17)18/h4-8H,3H2,1-2H3