![2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-5-(4-methyl-2-nitrobenzylthio)-1,3,4-thiadiazole](/api/spectrum/IHtA6N5x5mG/structure.png?h=300&w=458 "2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-5-(4-methyl-2-nitrobenzylthio)-1,3,4-thiadiazole")
| SpectraBase Compound ID | 3tGTeLc8BeE |
|---|---|
| InChI | InChI=1S/C18H17N7O2S3/c1-10-4-5-13(14(6-10)25(26)27)8-29-18-22-21-15(30-18)9-28-17-20-16-19-11(2)7-12(3)24(16)23-17/h4-7H,8-9H2,1-3H3 |
| InChIKey | XHYAAXVZYUNWFE-UHFFFAOYSA-N |
| Mol Weight | 459.56 g/mol |
| Molecular Formula | C18H17N7O2S3 |
| Exact Mass | 459.060586 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IHtA6N5x5mG |
|---|---|
| Name | 2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-5-(4-methyl-2-nitrobenzylthio)-1,3,4-thiadiazole |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H17N7O2S3 |
| InChI | InChI=1S/C18H17N7O2S3/c1-10-4-5-13(14(6-10)25(26)27)8-29-18-22-21-15(30-18)9-28-17-20-16-19-11(2)7-12(3)24(16)23-17/h4-7H,8-9H2,1-3H3 |
| InChIKey | XHYAAXVZYUNWFE-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1016/j.ejmech.2013.04.014 |
| Molecular Weight | 459.561 g/mol |
| SMILES | C=1C(C)=Nc2nc(n[n]2C1C)SCc1nnc(s1)SCc1c(cc(cc1)C)[N+](=O)[O-] |
| SPLASH | splash10-0a4r-3920000000-beb01e35c88245138372 |
| Source of Spectrum | EMC-64-59-25 |
| Synonyms | 2-(((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)methyl)-5-((4-methyl-2-nitrobenzyl)thio)-1,3,4-thiadiazole 2-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]-5-[(4-methyl-2-nitrophenyl)methylthio]-1,3,4-thiadiazole 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-[(4-methyl-2-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-[(4-methyl-2-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazole |
| Wiley ID | 1755181 |