![2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-5-(2-methylbenzylthio)-1,3,4-thiadiazole](/api/spectrum/K4IJi0hPeJM/structure.png?h=300&w=458 "2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-5-(2-methylbenzylthio)-1,3,4-thiadiazole")
| SpectraBase Compound ID | 9ejN6wgv9Qg |
|---|---|
| InChI | InChI=1S/C18H18N6S3/c1-11-6-4-5-7-14(11)9-26-18-22-21-15(27-18)10-25-17-20-16-19-12(2)8-13(3)24(16)23-17/h4-8H,9-10H2,1-3H3 |
| InChIKey | QZSVUWSIYNPVEC-UHFFFAOYSA-N |
| Mol Weight | 414.56 g/mol |
| Molecular Formula | C18H18N6S3 |
| Exact Mass | 414.075508 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K4IJi0hPeJM |
|---|---|
| Name | 2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-5-(2-methylbenzylthio)-1,3,4-thiadiazole |
| Alternate Name(s) | 2-(((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)methyl)-5-((2-methylbenzyl)thio)-1,3,4-thiadiazole 2-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]-5-[(2-methylphenyl)methylthio]-1,3,4-thiadiazole 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-(o-tolylmethylsulfanyl)-1,3,4-thiadiazole 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H18N6S3 |
| InChI | InChI=1S/C18H18N6S3/c1-11-6-4-5-7-14(11)9-26-18-22-21-15(27-18)10-25-17-20-16-19-12(2)8-13(3)24(16)23-17/h4-8H,9-10H2,1-3H3 |
| InChIKey | QZSVUWSIYNPVEC-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1016/j.ejmech.2013.04.014 |
| Molecular Weight | 414.564 g/mol |
| SMILES | C=1C(C)=Nc2nc(n[n]2C1C)SCc1nnc(s1)SCc1c(cccc1)C |
| SPLASH | splash10-0a4i-1910000000-3e74b26228ea765fcf62 |
| Source of Spectrum | EMC-64-58-11 |
| Wiley ID | 1755167 |