SpectraBase Spectrum ID |
2N5bBSHJstS |
Name |
(5Z)-5-[(3-Phenyl-1H-pyrazol-4-yl)methylene]-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1,3-thiazol-4(5H)-one |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
483.134065946 u |
Formula |
C24H20F3N5OS |
InChI |
InChI=1S/C24H20F3N5OS/c25-24(26,27)18-7-4-8-19(14-18)31-9-11-32(12-10-31)23-29-22(33)20(34-23)13-17-15-28-30-21(17)16-5-2-1-3-6-16/h1-8,13-15H,9-12H2,(H,28,30)/b20-13- |
InChIKey |
JXYLYYXIHFSDEO-MOSHPQCFSA-N |
Molecular Weight |
483.513 g/mol |
SMILES |
N1N=C(C(=C1)\C=C\1C(N=C(S1)N1CCN(CC1)C1=CC(C(F)(F)F)=CC=C1)=O)C=1C=CC=CC1 |