6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: 6-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 6-(4-chlorophenyl)-2-(methylthio)-4-pyrimidinecarboxylate IUPAC Name: 6-(4-chlorophenyl)-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 6-(4-chlorophenyl)-2-(methylthio)pyrimidine-4-carboxylate Formula: C12H8ClN2O2S- MolecularWeight: 279.72212

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)C(=O)[O-])C2=CC=C(C=C2)Cl

Isomeric SMILES

CSC1=NC(=CC(=N1)C(=O)[O-])C2=CC=C(C=C2)Cl

InChI

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