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

Systemtic Name: diphenyl-[3-phenyl-2-(phenylsulfonylmethyl)-1,2,4-thiadiazol-5-ylidene]azanium bromide Openeye Name: [2-(benzenesulfonylmethyl)-3-phenyl-1,2,4-thiadiazol-5-ylidene]-diphenyl-ammonium bromide CAS Name: [2-(benzenesulfonylmethyl)-3-phenyl-1,2,4-thiadiazol-5-ylidene]-diphenylammonium bromide IUPAC Name: [2-(benzenesulfonylmethyl)-3-phenyl-1,2,4-thiadiazol-5-ylidene]-diphenylazanium bromide Traditional Name: [2-(besylmethyl)-3-phenyl-1,2,4-thiadiazol-5-ylidene]-diphenyl-ammonium bromide Formula: C27H22BrN3O2S2 MolecularWeight: 564.51648

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C27H22N3O2S2.BrH/c31-34(32,25-19-11-4-12-20-25)21-29-26(22-13-5-1-6-14-22)28-27(33-29)30(23-15-7-2-8-16-23)24-17-9-3-10-18-24;/h1-20H,21H2;1H/q+1;/p-1