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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=C(C(=N2)C(=O)OC3=CC=C(C=C3)Br)Cl)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=C(C(=N2)C(=O)OC3=CC=C(C=C3)Br)Cl)F

InChI

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