(4-methylphenyl) 4-chloranyl-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: (4-methylphenyl) 4-chloranyl-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: p-tolyl 4-chloro-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-chloro-2-(methylthio)-5-pyrimidinecarboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-chloro-2-(methylthio)pyrimidine-5-carboxylic acid p-tolyl ester Formula: C13H11ClN2O2S MolecularWeight: 294.75664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=CN=C(N=C2Cl)SC

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=CN=C(N=C2Cl)SC

InChI

InChI=1S/C13H11ClN2O2S/c1-8-3-5-9(6-4-8)18-12(17)10-7-15-13(19-2)16-11(10)14/h3-7H,1-2H3