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

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone bromide Openeye Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone bromide CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-chlorophenyl)ethanone bromide IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone bromide Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-chlorophenyl)ethanone bromide Formula: C16H11Br2ClN3OS- MolecularWeight: 488.60404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)Cl)Br.[Br-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)Cl)Br.[Br-]

InChI

InChI=1S/C16H11BrClN3OS.BrH/c17-12-5-1-11(2-6-12)15-19-16(21-20-15)23-9-14(22)10-3-7-13(18)8-4-10;/h1-8H,9H2,(H,19,20,21);1H/p-1