2-(3,5-diphenyl-1H-1,2,3,4-tetrazol-1-ium-2-yl)-1,3-benzothiazole bromide

Systemtic Name: 2-(3,5-diphenyl-1H-1,2,3,4-tetrazol-1-ium-2-yl)-1,3-benzothiazole bromide Openeye Name: 2-(3,5-diphenyl-1H-tetrazol-1-ium-2-yl)-1,3-benzothiazole bromide CAS Name: 2-(3,5-diphenyl-1H-tetrazol-1-ium-2-yl)-1,3-benzothiazole bromide IUPAC Name: 2-(3,5-diphenyl-1H-tetrazol-1-ium-2-yl)-1,3-benzothiazole bromide Traditional Name: 2-(3,5-diphenyl-1H-tetrazol-1-ium-2-yl)-1,3-benzothiazole bromide Formula: C20H16BrN5S MolecularWeight: 438.34354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(N([NH2+]2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(N([NH2+]2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C20H15N5S.BrH/c1-3-9-15(10-4-1)19-22-24(16-11-5-2-6-12-16)25(23-19)20-21-17-13-7-8-14-18(17)26-20;/h1-14H,(H,22,23);1H