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

Systemtic Name: (3-bromophenyl) 5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: (3-bromophenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(4-fluorophenyl)methylthio]-4-pyrimidinecarboxylic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(4-fluorobenzyl)thio]pyrimidine-4-carboxylic acid (3-bromophenyl) ester Formula: C18H11BrClFN2O2S MolecularWeight: 453.712543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CC(=C1)Br)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H11BrClFN2O2S/c19-12-2-1-3-14(8-12)25-17(24)16-15(20)9-22-18(23-16)26-10-11-4-6-13(21)7-5-11/h1-9H,10H2