N-(4-bromophenyl)-3-phenyl-2-(phenylsulfonylmethyl)-1,2,4-thiadiazol-2-ium-5-amine bromide

Systemtic Name: N-(4-bromophenyl)-3-phenyl-2-(phenylsulfonylmethyl)-1,2,4-thiadiazol-2-ium-5-amine bromide Openeye Name: 2-(benzenesulfonylmethyl)-N-(4-bromophenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine bromide CAS Name: 2-(benzenesulfonylmethyl)-N-(4-bromophenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine bromide IUPAC Name: 2-(benzenesulfonylmethyl)-N-(4-bromophenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine bromide Traditional Name: [2-(besylmethyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-yl]-(4-bromophenyl)amine bromide Formula: C21H17Br2N3O2S2 MolecularWeight: 567.31658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=CC=C(C=C3)Br)CS(=O)(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](SC(=N2)NC3=CC=C(C=C3)Br)CS(=O)(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H16BrN3O2S2.BrH/c22-17-11-13-18(14-12-17)23-21-24-20(16-7-3-1-4-8-16)25(28-21)15-29(26,27)19-9-5-2-6-10-19;/h1-14H,15H2;1H