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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)Br

InChI

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