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

Systemtic Name: (4-bromophenyl) 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: (4-bromophenyl) 5-chloro-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 5-chloro-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxylic acid (4-bromophenyl) ester Formula: C19H14BrClN2O2S MolecularWeight: 449.74866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)OC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)OC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C19H14BrClN2O2S/c1-12-3-2-4-13(9-12)11-26-19-22-10-16(21)17(23-19)18(24)25-15-7-5-14(20)6-8-15/h2-10H,11H2,1H3