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

Systemtic Name: 1,5-dimethyl-4-[[4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]-2-phenyl-pyrazol-3-one bromide Openeye Name: 4-[[3-allyl-4-(p-tolyl)thiazol-3-ium-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one bromide CAS Name: 1,5-dimethyl-4-[[4-(4-methylphenyl)-3-prop-2-enyl-2-thiazol-3-iumyl]amino]-2-phenyl-3-pyrazolone bromide IUPAC Name: 1,5-dimethyl-4-[[4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]-2-phenylpyrazol-3-one bromide Traditional Name: 4-[[3-allyl-4-(p-tolyl)thiazol-3-ium-2-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one bromide Formula: C24H25BrN4OS MolecularWeight: 497.4505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C.[Br-]

InChI

InChI=1S/C24H24N4OS.BrH/c1-5-15-27-21(19-13-11-17(2)12-14-19)16-30-24(27)25-22-18(3)26(4)28(23(22)29)20-9-7-6-8-10-20;/h5-14,16H,1,15H2,2-4H3;1H