![2-(2,6-Difluorobenzylthio)-5-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-1,3,4-thiadiazole](/api/spectrum/JqxdyFuaqf5/structure.png?h=300&w=458 "2-(2,6-Difluorobenzylthio)-5-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-1,3,4-thiadiazole")
| SpectraBase Compound ID | GgX4k4MI5un |
|---|---|
| InChI | InChI=1S/C17H14F2N6S3/c1-9-6-10(2)25-15(20-9)21-16(24-25)26-8-14-22-23-17(28-14)27-7-11-12(18)4-3-5-13(11)19/h3-6H,7-8H2,1-2H3 |
| InChIKey | JQABKHYMOWFNPR-UHFFFAOYSA-N |
| Mol Weight | 436.52 g/mol |
| Molecular Formula | C17H14F2N6S3 |
| Exact Mass | 436.041014 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JqxdyFuaqf5 |
|---|---|
| Name | 2-(2,6-Difluorobenzylthio)-5-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-1,3,4-thiadiazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H14F2N6S3 |
| InChI | InChI=1S/C17H14F2N6S3/c1-9-6-10(2)25-15(20-9)21-16(24-25)26-8-14-22-23-17(28-14)27-7-11-12(18)4-3-5-13(11)19/h3-6H,7-8H2,1-2H3 |
| InChIKey | JQABKHYMOWFNPR-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1016/j.ejmech.2013.04.014 |
| Molecular Weight | 436.518 g/mol |
| SMILES | C=1C(C)=Nc2nc(n[n]2C1C)SCc1nnc(s1)SCc1c(cccc1F)F |
| SPLASH | splash10-056r-2910000000-ef1df16a42fb44100a12 |
| Source of Spectrum | EMC-64-60-29 |
| Synonyms | 2-((2,6-difluorobenzyl)thio)-5-(((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)methyl)-1,3,4-thiadiazole 2-[(2,6-difluorophenyl)methylthio]-5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]-1,3,4-thiadiazole 2-[(2,6-difluorophenyl)methylsulfanyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole 2-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole |
| Wiley ID | 1755184 |