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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N5S.BrH/c1-18(2)13-24-17(19-18)22-16(14-9-5-3-6-10-14)20-21-23(22)15-11-7-4-8-12-15;/h3-12H,13H2,1-2H3;1H/q+1;/p-1