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

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (4-cyano-2-fluoro-benzyl) ester Formula: C14H9ClFN3O2S MolecularWeight: 337.756563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClFN3O2S/c1-22-14-18-6-10(15)12(19-14)13(20)21-7-9-3-2-8(5-17)4-11(9)16/h2-4,6H,7H2,1H3