2-[3-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetrazol-2-ium-2-yl]-1,3-benzothiazole bromide

Systemtic Name: 2-[3-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetrazol-2-ium-2-yl]-1,3-benzothiazole bromide Openeye Name: 2-[3-(4-nitrophenyl)-5-phenyl-tetrazol-2-ium-2-yl]-1,3-benzothiazole bromide CAS Name: 2-[3-(4-nitrophenyl)-5-phenyl-2-tetrazol-2-iumyl]-1,3-benzothiazole bromide IUPAC Name: 2-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]-1,3-benzothiazole bromide Traditional Name: 2-[3-(4-nitrophenyl)-5-phenyl-tetrazol-2-ium-2-yl]-1,3-benzothiazole bromide Formula: C20H13BrN6O2S MolecularWeight: 481.32522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN([N+](=N2)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN([N+](=N2)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C20H13N6O2S.BrH/c27-26(28)16-12-10-15(11-13-16)24-22-19(14-6-2-1-3-7-14)23-25(24)20-21-17-8-4-5-9-18(17)29-20;/h1-13H;1H/q+1;/p-1