![2-(4-Bromo-2-fluorobenzylthio)-5-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-1,3,4-thiadiazole](/api/spectrum/3RhHfNtzqS/structure.png?h=300&w=458 "2-(4-Bromo-2-fluorobenzylthio)-5-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-1,3,4-thiadiazole")
| SpectraBase Compound ID | DoHxCc4QEpN |
|---|---|
| InChI | InChI=1S/C17H14BrFN6S3/c1-9-5-10(2)25-15(20-9)21-16(24-25)26-8-14-22-23-17(28-14)27-7-11-3-4-12(18)6-13(11)19/h3-6H,7-8H2,1-2H3 |
| InChIKey | ZCEYOMSCOFSJDP-UHFFFAOYSA-N |
| Mol Weight | 497.42 g/mol |
| Molecular Formula | C17H14BrFN6S3 |
| Exact Mass | 495.960949 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3RhHfNtzqS |
|---|---|
| Name | 2-(4-Bromo-2-fluorobenzylthio)-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 | C17H14BrFN6S3 |
| InChI | InChI=1S/C17H14BrFN6S3/c1-9-5-10(2)25-15(20-9)21-16(24-25)26-8-14-22-23-17(28-14)27-7-11-3-4-12(18)6-13(11)19/h3-6H,7-8H2,1-2H3 |
| InChIKey | ZCEYOMSCOFSJDP-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1016/j.ejmech.2013.04.014 |
| Molecular Weight | 497.423 g/mol |
| SMILES | C=1C(C)=Nc2nc(n[n]2C1C)SCc1nnc(s1)SCc1c(cc(cc1)Br)F |
| SPLASH | splash10-0a4r-2910000000-a30426f2628f5ad081a9 |
| Source of Spectrum | EMC-64-60-31 |
| Synonyms | 2-((4-bromo-2-fluorobenzyl)thio)-5-(((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)methyl)-1,3,4-thiadiazole 2-[(4-bromo-2-fluorophenyl)methylthio]-5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]-1,3,4-thiadiazole 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole 2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole 2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole |
| Wiley ID | 1755186 |