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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SCN1N2N=C(N=[N+]2C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC1=C(SCN1N2N=C(N=[N+]2C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

InChI

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