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

Systemtic Name: 3-[3-[(4-bromanylphenoxy)methyl]-4-methoxy-phenyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[3-[(4-bromophenoxy)methyl]-4-methoxy-phenyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[3-[(4-bromophenoxy)methyl]-4-methoxy-phenyl]-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C23H20BrN3O3S MolecularWeight: 498.3922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC(=CC=C3)OC)COC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC(=CC=C3)OC)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrN3O3S/c1-28-20-5-3-4-18(13-20)27-22(25-26-23(27)31)15-6-11-21(29-2)16(12-15)14-30-19-9-7-17(24)8-10-19/h3-13H,14H2,1-2H3,(H,26,31)