(2-chloranyl-4-fluoranyl-phenyl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (2-chloro-4-fluoro-benzyl) ester Formula: C13H9Cl2FN2O2S MolecularWeight: 347.192163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OCC2=C(C=C(C=C2)F)Cl)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OCC2=C(C=C(C=C2)F)Cl)Cl

InChI

InChI=1S/C13H9Cl2FN2O2S/c1-21-13-17-5-10(15)11(18-13)12(19)20-6-7-2-3-8(16)4-9(7)14/h2-5H,6H2,1H3