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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(N1C)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CSC(N1C)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C18H18N5S.BrH/c1-14-13-24-18(21(14)2)23-20-17(15-9-5-3-6-10-15)19-22(23)16-11-7-4-8-12-16;/h3-13,18H,1-2H3;1H/q+1;/p-1