1-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea

Systemtic Name: 1-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea Openeye Name: 1-[(5-bromo-2-fluoro-phenyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea CAS Name: 1-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(trifluoromethylthio)phenyl]urea IUPAC Name: 1-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea Traditional Name: 1-(5-bromo-2-fluoro-benzyl)-3-[4-(trifluoromethylthio)phenyl]urea Formula: C15H11BrF4N2OS MolecularWeight: 423.223253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NCC2=C(C=CC(=C2)Br)F)SC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NCC2=C(C=CC(=C2)Br)F)SC(F)(F)F

InChI

InChI=1S/C15H11BrF4N2OS/c16-10-1-6-13(17)9(7-10)8-21-14(23)22-11-2-4-12(5-3-11)24-15(18,19)20/h1-7H,8H2,(H2,21,22,23)