3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-[(3-bromanylphenoxy)methyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-[(3-bromanylphenoxy)methyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-[(3-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-[(3-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-[(3-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-[(3-bromophenoxy)methyl]-4-phenyl-1,2,4-triazole Formula: C23H19Br2N3O2S MolecularWeight: 561.28886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC(=CC=C4)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC(=CC=C4)Br)Br

InChI

InChI=1S/C23H19Br2N3O2S/c1-29-21-11-10-16(12-20(21)25)15-31-23-27-26-22(28(23)18-7-3-2-4-8-18)14-30-19-9-5-6-17(24)13-19/h2-13H,14-15H2,1H3