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

Systemtic Name: N-(4-bromophenyl)-3-phenyl-2-(phenylsulfonylmethyl)-1,2,4-thiadiazol-2-ium-5-amine Openeye Name: 2-(benzenesulfonylmethyl)-N-(4-bromophenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine CAS Name: 2-(benzenesulfonylmethyl)-N-(4-bromophenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine IUPAC Name: 2-(benzenesulfonylmethyl)-N-(4-bromophenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine Traditional Name: [2-(besylmethyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-yl]-(4-bromophenyl)amine Formula: C21H17BrN3O2S2+ MolecularWeight: 487.41258

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O2S2/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/p+1