[3-(4-methylphenyl)-2-(phenylsulfonylmethyl)-1,2,4-thiadiazol-5-ylidene]-diphenyl-azanium bromide

Systemtic Name: [3-(4-methylphenyl)-2-(phenylsulfonylmethyl)-1,2,4-thiadiazol-5-ylidene]-diphenyl-azanium bromide Openeye Name: [2-(benzenesulfonylmethyl)-3-(p-tolyl)-1,2,4-thiadiazol-5-ylidene]-diphenyl-ammonium bromide CAS Name: [2-(benzenesulfonylmethyl)-3-(4-methylphenyl)-1,2,4-thiadiazol-5-ylidene]-diphenylammonium bromide IUPAC Name: [2-(benzenesulfonylmethyl)-3-(4-methylphenyl)-1,2,4-thiadiazol-5-ylidene]-diphenylazanium bromide Traditional Name: [2-(besylmethyl)-3-(p-tolyl)-1,2,4-thiadiazol-5-ylidene]-diphenyl-ammonium bromide Formula: C28H24BrN3O2S2 MolecularWeight: 578.54306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=[N+](C3=CC=CC=C3)C4=CC=CC=C4)SN2CS(=O)(=O)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=[N+](C3=CC=CC=C3)C4=CC=CC=C4)SN2CS(=O)(=O)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C28H24N3O2S2.BrH/c1-22-17-19-23(20-18-22)27-29-28(34-30(27)21-35(32,33)26-15-9-4-10-16-26)31(24-11-5-2-6-12-24)25-13-7-3-8-14-25;/h2-20H,21H2,1H3;1H/q+1;/p-1