| SpectraBase Spectrum ID |
LmeYRi2DMHy |
| Name |
(4E)-2-(1,3-Benzothiazol-2-yl)-4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
469.118415882 u |
| Formula |
C23H18F3N5OS |
| InChI |
InChI=1S/C23H18F3N5OS/c1-13-14(15-6-2-3-7-17(15)28-13)10-11-27-12-16-20(23(24,25)26)30-31(21(16)32)22-29-18-8-4-5-9-19(18)33-22/h2-9,12,27-28H,10-11H2,1H3/b16-12+ |
| InChIKey |
GPYBCHQVUFQVBM-FOWTUZBSSA-N |
| Molecular Weight |
469.486 g/mol |
| SMILES |
C1=CC=2N=C(N3N=C(C(F)(F)F)\C(C3=O)=C/NCCC3=C(NC4=C3C=CC=C4)C)SC2C=C1 |
![(4E)-2-(1,3-benzothiazol-2-yl)-4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one](/api/spectrum/LmeYRi2DMHy/structure.png?h=300&w=458 "(4E)-2-(1,3-benzothiazol-2-yl)-4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one")
