2-[[5-[4-(4-bromophenyl)sulfonylphenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-[4-(4-bromophenyl)sulfonylphenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[4-(4-bromophenyl)sulfonylphenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[4-(4-bromophenyl)sulfonylphenyl]-1H-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[4-(4-bromophenyl)sulfonylphenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(4-brosylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H16BrN3O3S2 MolecularWeight: 514.41474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrN3O3S2/c23-17-8-12-19(13-9-17)31(28,29)18-10-6-16(7-11-18)21-24-22(26-25-21)30-14-20(27)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,25,26)