3-[4-(4-bromophenyl)sulfonylphenyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[4-(4-bromophenyl)sulfonylphenyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[4-(4-bromophenyl)sulfonylphenyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-(4-bromophenyl)sulfonylphenyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[4-(4-bromophenyl)sulfonylphenyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-brosylphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C21H16BrN3O3S2 MolecularWeight: 502.40404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O3S2/c1-28-17-8-6-16(7-9-17)25-20(23-24-21(25)29)14-2-10-18(11-3-14)30(26,27)19-12-4-15(22)5-13-19/h2-13H,1H3,(H,24,29)