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

Systemtic Name: 4-[[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-3-ium-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one bromide Openeye Name: 4-[[3-ethyl-4-(p-tolyl)thiazol-3-ium-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one bromide CAS Name: 4-[[3-ethyl-4-(4-methylphenyl)-2-thiazol-3-iumyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone bromide IUPAC Name: 4-[[3-ethyl-4-(4-methylphenyl)-1,3-thiazol-3-ium-2-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one bromide Traditional Name: 4-[[3-ethyl-4-(p-tolyl)thiazol-3-ium-2-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one bromide Formula: C23H25BrN4OS MolecularWeight: 485.4398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4OS.BrH/c1-5-26-20(18-13-11-16(2)12-14-18)15-29-23(26)24-21-17(3)25(4)27(22(21)28)19-9-7-6-8-10-19;/h6-15H,5H2,1-4H3;1H