2-(4-bromophenyl)-4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: 2-(4-bromophenyl)-4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylate Openeye Name: 2-(4-bromophenyl)-4-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidine-5-carboxylate CAS Name: 2-(4-bromophenyl)-4-[(4-chlorophenyl)methylthio]-6-methyl-5-pyrimidinecarboxylate IUPAC Name: 2-(4-bromophenyl)-4-[(4-chlorophenyl)methylsulfanyl]-6-methylpyrimidine-5-carboxylate Traditional Name: 2-(4-bromophenyl)-4-[(4-chlorobenzyl)thio]-6-methyl-pyrimidine-5-carboxylate Formula: C19H13BrClN2O2S- MolecularWeight: 448.74072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Br)SCC3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Br)SCC3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

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