3-[3-[(3-bromanylphenoxy)methyl]phenyl]-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[3-[(3-bromanylphenoxy)methyl]phenyl]-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[3-[(3-bromophenoxy)methyl]phenyl]-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[3-[(3-bromophenoxy)methyl]phenyl]-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[3-[(3-bromophenoxy)methyl]phenyl]-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[3-[(3-bromophenoxy)methyl]phenyl]-4-p-phenetyl-1H-1,2,4-triazole-5-thione Formula: C23H20BrN3O2S MolecularWeight: 482.3928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC(=CC=C4)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=CC=C3)COC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H20BrN3O2S/c1-2-28-20-11-9-19(10-12-20)27-22(25-26-23(27)30)17-6-3-5-16(13-17)15-29-21-8-4-7-18(24)14-21/h3-14H,2,15H2,1H3,(H,26,30)