3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-[(4-bromo-2-fluorophenyl)methylthio]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)thio]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole Formula: C24H21BrFN3OS MolecularWeight: 498.410443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC4=C(C=C(C=C4)Br)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C24H21BrFN3OS/c1-30-21-11-8-18(9-12-21)23-27-28-24(29(23)14-13-17-5-3-2-4-6-17)31-16-19-7-10-20(25)15-22(19)26/h2-12,15H,13-14,16H2,1H3