| SpectraBase Spectrum ID |
E3I2ki3JP3S |
| Name |
4-Methyl-3-(trifluoromethyl)-5-{[p-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.042137454 u |
| Formula |
C12H9F6N3S |
| InChI |
InChI=1S/C12H9F6N3S/c1-21-9(12(16,17)18)19-20-10(21)22-6-7-2-4-8(5-3-7)11(13,14)15/h2-5H,6H2,1H3 |
| InChIKey |
BYYUASHXMXINDH-UHFFFAOYSA-N |
| Molecular Weight |
341.275 g/mol |
| SMILES |
C(F)(F)(F)C=1N(C(SCC2=CC=C(C=C2)C(F)(F)F)=NN1)C |
![4-methyl-3-(trifluoromethyl)-5-{[p-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole](/api/spectrum/E3I2ki3JP3S/structure.png?h=300&w=458 "4-methyl-3-(trifluoromethyl)-5-{[p-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole")
