(2-chlorophenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: (2-chlorophenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: (2-chlorophenyl) 5-chloro-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxylic acid (2-chlorophenyl) ester IUPAC Name: (2-chlorophenyl) 5-chloro-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxylic acid (2-chlorophenyl) ester Formula: C19H14Cl2N2O2S MolecularWeight: 405.29766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)OC3=CC=CC=C3Cl)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)OC3=CC=CC=C3Cl)Cl

InChI

InChI=1S/C19H14Cl2N2O2S/c1-12-5-4-6-13(9-12)11-26-19-22-10-15(21)17(23-19)18(24)25-16-8-3-2-7-14(16)20/h2-10H,11H2,1H3