ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3,5-bis(trifluoromethyl)anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3,5-bis(trifluoromethyl)anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3,5-bis(trifluoromethyl)anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[3,5-bis(trifluoromethyl)anilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H13F6N3O2S MolecularWeight: 425.348739

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)SC

InChI

InChI=1S/C16H13F6N3O2S/c1-3-27-13(26)11-7-23-14(28-2)25-12(11)24-10-5-8(15(17,18)19)4-9(6-10)16(20,21)22/h4-7H,3H2,1-2H3,(H,23,24,25)