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

Systemtic Name: 4-[[3-tert-butyl-4-(3-nitrophenyl)-1,3-thiazol-3-ium-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one bromide Openeye Name: 4-[[3-tert-butyl-4-(3-nitrophenyl)thiazol-3-ium-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one bromide CAS Name: 4-[[3-tert-butyl-4-(3-nitrophenyl)-2-thiazol-3-iumyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone bromide IUPAC Name: 4-[[3-tert-butyl-4-(3-nitrophenyl)-1,3-thiazol-3-ium-2-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one bromide Traditional Name: 4-[[3-tert-butyl-4-(3-nitrophenyl)thiazol-3-ium-2-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one bromide Formula: C24H26BrN5O3S MolecularWeight: 544.46394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[N+](C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-])C(C)(C)C.[Br-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[N+](C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-])C(C)(C)C.[Br-]

InChI

InChI=1S/C24H25N5O3S.BrH/c1-16-21(22(30)28(26(16)5)18-11-7-6-8-12-18)25-23-27(24(2,3)4)20(15-33-23)17-10-9-13-19(14-17)29(31)32;/h6-15H,1-5H3;1H