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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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