phenyl 4-chloranyl-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: phenyl 4-chloranyl-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: phenyl 4-chloro-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-chloro-2-(methylthio)-5-pyrimidinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-chloro-2-(methylthio)pyrimidine-5-carboxylic acid phenyl ester Formula: C12H9ClN2O2S MolecularWeight: 280.73006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)Cl)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CSC1=NC=C(C(=N1)Cl)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C12H9ClN2O2S/c1-18-12-14-7-9(10(13)15-12)11(16)17-8-5-3-2-4-6-8/h2-7H,1H3