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

Systemtic Name: N-(2,4-dichlorophenyl)-3-phenyl-2-(phenylsulfonylmethyl)-1,2,4-thiadiazol-2-ium-5-amine bromide Openeye Name: 2-(benzenesulfonylmethyl)-N-(2,4-dichlorophenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine bromide CAS Name: 2-(benzenesulfonylmethyl)-N-(2,4-dichlorophenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine bromide IUPAC Name: 2-(benzenesulfonylmethyl)-N-(2,4-dichlorophenyl)-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]-(2,4-dichlorophenyl)amine bromide Formula: C21H16BrCl2N3O2S2 MolecularWeight: 557.31064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15Cl2N3O2S2.BrH/c22-16-11-12-19(18(23)13-16)24-21-25-20(15-7-3-1-4-8-15)26(29-21)14-30(27,28)17-9-5-2-6-10-17;/h1-13H,14H2;1H