![2-((5-(3-Nitrobenzylthio)-1,3,4-oxadiazol-2-yl)-methylthio)-5-dimethyl-1,2,4-triazolo-[1,5-a]pyrimidine](/api/spectrum/LKnhBP5QqoN/structure.png?h=300&w=458 "2-((5-(3-Nitrobenzylthio)-1,3,4-oxadiazol-2-yl)-methylthio)-5-dimethyl-1,2,4-triazolo-[1,5-a]pyrimidine")
| SpectraBase Compound ID | EksBB8IxqZk |
|---|---|
| InChI | InChI=1S/C16H13N7O3S2/c1-10-5-6-22-14(17-10)18-15(21-22)27-9-13-19-20-16(26-13)28-8-11-3-2-4-12(7-11)23(24)25/h2-7H,8-9H2,1H3 |
| InChIKey | KVSQIDBJNUOOBZ-UHFFFAOYSA-N |
| Mol Weight | 415.45 g/mol |
| Molecular Formula | C16H13N7O3S2 |
| Exact Mass | 415.05213 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LKnhBP5QqoN |
|---|---|
| Name | 2-((5-(3-Nitrobenzylthio)-1,3,4-oxadiazol-2-yl)-methylthio)-5-dimethyl-1,2,4-triazolo-[1,5-a]pyrimidine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H13N7O3S2 |
| InChI | InChI=1S/C16H13N7O3S2/c1-10-5-6-22-14(17-10)18-15(21-22)27-9-13-19-20-16(26-13)28-8-11-3-2-4-12(7-11)23(24)25/h2-7H,8-9H2,1H3 |
| InChIKey | KVSQIDBJNUOOBZ-UHFFFAOYSA-N |
| Molecular Weight | 415.446 g/mol |
| SMILES | c12nc(SCc3oc(SCc4cc(N(=O)=O)ccc4)nn3)n[n]1C=CC(=N2)C |
| SPLASH | splash10-002e-6490000000-d4bda45232745dd5a7ea |
| Source of Spectrum | EMC-43-600-8c |
| Synonyms | 2-((5-(3-Nitrobenzylthio)-1,3,4-oxadiazol-2-yl)-methylthio)-5-methyl-1,2,4-triazolo-[1,5-a]pyrimidine 2-(((5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)methyl)-5-((3-nitrobenzyl)thio)-1,3,4-oxadiazole 2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]-5-[(3-nitrophenyl)methylthio]-1,3,4-oxadiazole 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole |
| Wiley ID | 1735238 |