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

Systemtic Name: N-[1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,2,4-triazol-1-ium-4-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[1-[2-(4-bromophenyl)-2-oxo-ethyl]-1,2,4-triazol-1-ium-4-yl]-4-methyl-benzenesulfonamide CAS Name: N-[1-[2-(4-bromophenyl)-2-oxoethyl]-1,2,4-triazol-1-ium-4-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-[2-(4-bromophenyl)-2-oxoethyl]-1,2,4-triazol-1-ium-4-yl]-4-methylbenzenesulfonamide Traditional Name: N-[1-[2-(4-bromophenyl)-2-keto-ethyl]-1,2,4-triazol-1-ium-4-yl]-4-methyl-benzenesulfonamide Formula: C17H16BrN4O3S+ MolecularWeight: 436.30294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN2C=N[N+](=C2)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN2C=N[N+](=C2)CC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN4O3S/c1-13-2-8-16(9-3-13)26(24,25)20-22-11-19-21(12-22)10-17(23)14-4-6-15(18)7-5-14/h2-9,11-12,20H,10H2,1H3/q+1