SpectraBase Spectrum ID |
5N7QLIz3zCU |
Name |
(5Z)-5-(2-Butoxybenzylidene)-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 |
489.169782750 u |
Formula |
C25H26F3N3O2S |
InChI |
InChI=1S/C25H26F3N3O2S/c1-2-3-15-33-21-10-5-4-7-18(21)16-22-23(32)29-24(34-22)31-13-11-30(12-14-31)20-9-6-8-19(17-20)25(26,27)28/h4-10,16-17H,2-3,11-15H2,1H3/b22-16- |
InChIKey |
IAWXEWUDZYDAEK-JWGURIENSA-N |
Molecular Weight |
489.557 g/mol |
SMILES |
C=1C=CC(\C=C\2C(N=C(S2)N2CCN(CC2)C2=CC(C(F)(F)F)=CC=C2)=O)=C(OCCCC)C1 |