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

Systemtic Name: 4-[(3-ethyl-4-phenyl-1,3-thiazol-3-ium-2-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one bromide Openeye Name: 4-[(3-ethyl-4-phenyl-thiazol-3-ium-2-yl)amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one bromide CAS Name: 4-[(3-ethyl-4-phenyl-2-thiazol-3-iumyl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolone bromide IUPAC Name: 4-[(3-ethyl-4-phenyl-1,3-thiazol-3-ium-2-yl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one bromide Traditional Name: 4-[(3-ethyl-4-phenyl-thiazol-3-ium-2-yl)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one bromide Formula: C22H23BrN4OS MolecularWeight: 471.41322

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC=C1C2=CC=CC=C2)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C.[Br-]

Isomeric SMILES

CC[N+]1=C(SC=C1C2=CC=CC=C2)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C.[Br-]

InChI

InChI=1S/C22H22N4OS.BrH/c1-4-25-19(17-11-7-5-8-12-17)15-28-22(25)23-20-16(2)24(3)26(21(20)27)18-13-9-6-10-14-18;/h5-15H,4H2,1-3H3;1H