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

Systemtic Name: 3-[4-(4-bromophenyl)sulfonylphenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[4-(4-bromophenyl)sulfonylphenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-(4-bromophenyl)sulfonylphenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[4-(4-bromophenyl)sulfonylphenyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-brosylphenyl)-4-phenethyl-1H-1,2,4-triazole-5-thione Formula: C22H18BrN3O2S2 MolecularWeight: 500.43122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3O2S2/c23-18-8-12-20(13-9-18)30(27,28)19-10-6-17(7-11-19)21-24-25-22(29)26(21)15-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,25,29)