3-[2-(3-bromanylphenoxy)ethylsulfanyl]-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazole

Systemtic Name: 3-[2-(3-bromanylphenoxy)ethylsulfanyl]-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-[2-(3-bromophenoxy)ethylthio]-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(3-bromophenoxy)ethylsulfanyl]-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-[2-(3-bromophenoxy)ethylthio]-4-(4-fluorophenyl)-5-phenyl-1,2,4-triazole Formula: C22H17BrFN3OS MolecularWeight: 470.357283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)F)SCCOC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)F)SCCOC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H17BrFN3OS/c23-17-7-4-8-20(15-17)28-13-14-29-22-26-25-21(16-5-2-1-3-6-16)27(22)19-11-9-18(24)10-12-19/h1-12,15H,13-14H2