![6-[1-(4-bromophenyl)-5-methyl-1,2,3-triazol-4-yl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole](/api/spectrum/4h1jwSyobu7/structure.png?h=300&w=458 "6-[1-(4-bromophenyl)-5-methyl-1,2,3-triazol-4-yl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole")
| SpectraBase Compound ID | 1dPq18ZqG3b |
|---|---|
| InChI | InChI=1S/C17H11BrN8S/c1-10-14(20-24-25(10)13-4-2-12(18)3-5-13)16-23-26-15(21-22-17(26)27-16)11-6-8-19-9-7-11/h2-9H,1H3 |
| InChIKey | NFUWTTCNLSZRFB-UHFFFAOYSA-N |
| Mol Weight | 439.3 g/mol |
| Molecular Formula | C17H11BrN8S |
| Exact Mass | 438.001077 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4h1jwSyobu7 |
|---|---|
| Name | 6-[1-(4-bromophenyl)-5-methyl-1,2,3-triazol-4-yl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H11BrN8S |
| InChI | InChI=1S/C17H11BrN8S/c1-10-14(20-24-25(10)13-4-2-12(18)3-5-13)16-23-26-15(21-22-17(26)27-16)11-6-8-19-9-7-11/h2-9H,1H3 |
| InChIKey | NFUWTTCNLSZRFB-UHFFFAOYSA-N |
| Molecular Weight | 439.295 g/mol |
| SMILES | c12[n](N=C(S2)c2nn[n](c2C)-c2ccc(cc2)Br)c(nn1)-c1ccncc1 |
| SPLASH | splash10-001i-0519800000-7119f6345e3683485cc5 |
| Source of Spectrum | Y1-38-381-3 |
| Synonyms | 6-[1-(4-bromophenyl)-5-methyl-4-triazolyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-3-(pyridin-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-[1-(4-bromophenyl)-5-methyl-triazol-4-yl]-3-(4-pyridyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-[1-(4-bromophenyl)-5-methyltriazol-4-yl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Wiley ID | 1527655 |