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

Systemtic Name: 2-(2,5-diphenyl-1H-1,2,3,4-tetrazol-1-ium-3-yl)-4,5-dimethyl-1,3-thiazole bromide Openeye Name: 2-(2,5-diphenyl-1H-tetrazol-1-ium-3-yl)-4,5-dimethyl-thiazole bromide CAS Name: 2-(2,5-diphenyl-1H-tetrazol-1-ium-3-yl)-4,5-dimethylthiazole bromide IUPAC Name: 2-(2,5-diphenyl-1H-tetrazol-1-ium-3-yl)-4,5-dimethyl-1,3-thiazole bromide Traditional Name: 2-(2,5-diphenyl-1H-tetrazol-1-ium-3-yl)-4,5-dimethyl-thiazole bromide Formula: C18H18BrN5S MolecularWeight: 416.33802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2N=C([NH2+]N2C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC1=C(SC(=N1)N2N=C([NH2+]N2C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C18H17N5S.BrH/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16;/h3-12H,1-2H3,(H,20,21);1H