| SpectraBase Spectrum ID |
6rdYbecM1Wk |
| Name |
2-{[4-Allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.170117103 u |
| Formula |
C24H25F3N4OS |
| InChI |
InChI=1S/C24H25F3N4OS/c1-5-13-31-21(16-9-11-17(12-10-16)23(2,3)4)29-30-22(31)33-15-20(32)28-19-8-6-7-18(14-19)24(25,26)27/h5-12,14H,1,13,15H2,2-4H3,(H,28,32) |
| InChIKey |
HTRNQMSCJDMNKF-UHFFFAOYSA-N |
| Molecular Weight |
474.546 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)C=1C=CC(C(C)(C)C)=CC1)CC=C)=O)C1=CC(C(F)(F)F)=CC=C1 |
![2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide](/api/spectrum/6rdYbecM1Wk/structure.png?h=300&w=458 "2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide")
