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

Systemtic Name: 2-(3,5-diphenyl-1,2,3,4-tetrazol-2-ium-2-yl)-4,5-diethyl-1,3-thiazole bromide Openeye Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-diethyl-thiazole bromide CAS Name: 2-(3,5-diphenyl-2-tetrazol-2-iumyl)-4,5-diethylthiazole bromide IUPAC Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-diethyl-1,3-thiazole bromide Traditional Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-diethyl-thiazole bromide Formula: C20H20BrN5S MolecularWeight: 442.3753

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)CC.[Br-]

Isomeric SMILES

CCC1=C(SC(=N1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)CC.[Br-]

InChI

InChI=1S/C20H20N5S.BrH/c1-3-17-18(4-2)26-20(21-17)25-23-19(15-11-7-5-8-12-15)22-24(25)16-13-9-6-10-14-16;/h5-14H,3-4H2,1-2H3;1H/q+1;/p-1