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

Systemtic Name: 2-(3,5-diphenyl-1,2,3,4-tetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole bromide Openeye Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-thiazole bromide CAS Name: 2-(3,5-diphenyl-2-tetrazol-2-iumyl)-4,5-dimethylthiazole bromide IUPAC Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole bromide Traditional Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-thiazole bromide Formula: C18H16BrN5S MolecularWeight: 414.32214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC1=C(SC(=N1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C18H16N5S.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;1H/q+1;/p-1