ethyl 4-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-chloro-5-(trifluoromethyl)anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[2-chloro-5-(trifluoromethyl)anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-chloro-5-(trifluoromethyl)anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[2-chloro-5-(trifluoromethyl)anilino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H13ClF3N3O2S MolecularWeight: 391.79583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClF3N3O2S/c1-3-24-13(23)9-7-20-14(25-2)22-12(9)21-11-6-8(15(17,18)19)4-5-10(11)16/h4-7H,3H2,1-2H3,(H,20,21,22)