![3-{[3-(trifluoromethyl)benzyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-amine](/api/spectrum/16LmEFLb0hf/structure.png?h=300&w=458 "3-{[3-(trifluoromethyl)benzyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-amine")
| SpectraBase Compound ID | ECKJBOyZZ5k |
|---|---|
| InChI | InChI=1S/C11H9F3N6S/c12-11(13,14)8-3-1-2-7(4-8)5-21-10-18-17-9-19(15)6-16-20(9)10/h1-4,6H,5,15H2 |
| InChIKey | WXOCGCHUUAMVSY-UHFFFAOYSA-N |
| Mol Weight | 314.29 g/mol |
| Molecular Formula | C11H9F3N6S |
| Exact Mass | 314.05615 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 16LmEFLb0hf |
|---|---|
| Name | 3-{[3-(trifluoromethyl)benzyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-amine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H9F3N6S |
| InChI | InChI=1S/C11H9F3N6S/c12-11(13,14)8-3-1-2-7(4-8)5-21-10-18-17-9-19(15)6-16-20(9)10/h1-4,6H,5,15H2 |
| InChIKey | WXOCGCHUUAMVSY-UHFFFAOYSA-N |
| Molecular Weight | 314.290 g/mol |
| SMILES | NN1c2[n](c(SCc3cc(C(F)(F)F)ccc3)nn2)N=C1 |
| SPLASH | splash10-0a4i-5922000000-1bf400d8116a7877ba35 |
| Synonyms | 3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-amine 3-[[3-(trifluoromethyl)phenyl]methylthio]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-amine [1,2,4]Triazolo[4,3-b][1,2,4]triazol-7-ylamine, 3-(3-trifluoromethylbenzylsulfanyl)- [3-[[3-(trifluoromethyl)benzyl]thio]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]amine |
| Wiley ID | 1441887 |