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

Systemtic Name: 3-[4-(4-bromophenyl)sulfonylphenyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[4-(4-bromophenyl)sulfonylphenyl]-4-(m-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-(4-bromophenyl)sulfonylphenyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[4-(4-bromophenyl)sulfonylphenyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-brosylphenyl)-4-(m-tolyl)-1H-1,2,4-triazole-5-thione Formula: C21H16BrN3O2S2 MolecularWeight: 486.40464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O2S2/c1-14-3-2-4-17(13-14)25-20(23-24-21(25)28)15-5-9-18(10-6-15)29(26,27)19-11-7-16(22)8-12-19/h2-13H,1H3,(H,24,28)