1-(4-bromophenyl)-2-[4-(4-methylphenyl)-1,2,4-triazol-4-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-bromophenyl)-2-[4-(4-methylphenyl)-1,2,4-triazol-4-ium-1-yl]ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-[4-(p-tolyl)-1,2,4-triazol-4-ium-1-yl]ethanone bromide CAS Name: 1-(4-bromophenyl)-2-[4-(4-methylphenyl)-1,2,4-triazol-4-ium-1-yl]ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-[4-(4-methylphenyl)-1,2,4-triazol-4-ium-1-yl]ethanone bromide Traditional Name: 1-(4-bromophenyl)-2-[4-(p-tolyl)-1,2,4-triazol-4-ium-1-yl]ethanone bromide Formula: C17H15Br2N3O MolecularWeight: 437.1285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=CN(N=C2)CC(=O)C3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=CN(N=C2)CC(=O)C3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C17H15BrN3O.BrH/c1-13-2-8-16(9-3-13)20-11-19-21(12-20)10-17(22)14-4-6-15(18)7-5-14;/h2-9,11-12H,10H2,1H3;1H/q+1;/p-1