5-bromanyl-N-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(4-chlorophenyl)-2-[(4-fluorophenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-(4-chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-bromo-N-(4-chlorophenyl)-2-[(4-fluorobenzyl)thio]pyrimidine-4-carboxamide Formula: C18H12BrClFN3OS MolecularWeight: 452.727783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)Cl)Br)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)Cl)Br)F

InChI

InChI=1S/C18H12BrClFN3OS/c19-15-9-22-18(26-10-11-1-5-13(21)6-2-11)24-16(15)17(25)23-14-7-3-12(20)4-8-14/h1-9H,10H2,(H,23,25)