N-[1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,2,4-triazol-4-ium-4-yl]benzamide bromide

Systemtic Name: N-[1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,2,4-triazol-4-ium-4-yl]benzamide bromide Openeye Name: N-[1-[2-(4-bromophenyl)-2-oxo-ethyl]-1,2,4-triazol-4-ium-4-yl]benzamide bromide CAS Name: N-[1-[2-(4-bromophenyl)-2-oxoethyl]-1,2,4-triazol-4-ium-4-yl]benzamide bromide IUPAC Name: N-[1-[2-(4-bromophenyl)-2-oxoethyl]-1,2,4-triazol-4-ium-4-yl]benzamide bromide Traditional Name: N-[1-[2-(4-bromophenyl)-2-keto-ethyl]-1,2,4-triazol-4-ium-4-yl]benzamide bromide Formula: C17H14Br2N4O2 MolecularWeight: 466.12666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN4O2.BrH/c18-15-8-6-13(7-9-15)16(23)10-21-12-22(11-19-21)20-17(24)14-4-2-1-3-5-14;/h1-9,11-12H,10H2;1H