4-[2-(tert-butylamino)-4-(4-methylphenyl)-1,3-thiazol-3-ium-3-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one bromide

Systemtic Name: 4-[2-(tert-butylamino)-4-(4-methylphenyl)-1,3-thiazol-3-ium-3-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one bromide Openeye Name: 4-[2-(tert-butylamino)-4-(p-tolyl)thiazol-3-ium-3-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one bromide CAS Name: 4-[2-(tert-butylamino)-4-(4-methylphenyl)-3-thiazol-3-iumyl]-1,5-dimethyl-2-phenyl-3-pyrazolone bromide IUPAC Name: 4-[2-(tert-butylamino)-4-(4-methylphenyl)-1,3-thiazol-3-ium-3-yl]-1,5-dimethyl-2-phenylpyrazol-3-one bromide Traditional Name: 4-[2-(tert-butylamino)-4-(p-tolyl)thiazol-3-ium-3-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one bromide Formula: C25H29BrN4OS MolecularWeight: 513.49296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=[N+]2C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)NC(C)(C)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=[N+]2C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)NC(C)(C)C.[Br-]

InChI

InChI=1S/C25H28N4OS.BrH/c1-17-12-14-19(15-13-17)21-16-31-24(26-25(3,4)5)28(21)22-18(2)27(6)29(23(22)30)20-10-8-7-9-11-20;/h7-16H,1-6H3;1H