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

Systemtic Name: 5-[3-[(4-bromanylphenoxy)methyl]-4-methoxy-phenyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[3-[(4-bromophenoxy)methyl]-4-methoxy-phenyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[3-[(4-bromophenoxy)methyl]-4-methoxy-phenyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C23H19BrN3O3S- MolecularWeight: 497.38426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC(=CC=C3)OC)[S-])COC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC(=CC=C3)OC)[S-])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)/p-1