![6-(2-bromophenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole](/api/spectrum/9AwvffECYm0/structure.png?h=300&w=458 "6-(2-bromophenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole")
| SpectraBase Compound ID | 8tX2hfMgkm |
|---|---|
| InChI | InChI=1S/C19H14BrN7S/c1-11-7-9-13(10-8-11)26-12(2)16(21-25-26)17-22-23-19-27(17)24-18(28-19)14-5-3-4-6-15(14)20/h3-10H,1-2H3 |
| InChIKey | IBENGIFGAPNNOX-UHFFFAOYSA-N |
| Mol Weight | 452.33 g/mol |
| Molecular Formula | C19H14BrN7S |
| Exact Mass | 451.021478 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9AwvffECYm0 |
|---|---|
| Name | 3-[5-Methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-6-(o-bromophenyl)-1,3,4-triazolo[3,4-b]-1,3,4-thiadiazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H14BrN7S |
| InChI | InChI=1S/C19H14BrN7S/c1-11-7-9-13(10-8-11)26-12(2)16(21-25-26)17-22-23-19-27(17)24-18(28-19)14-5-3-4-6-15(14)20/h3-10H,1-2H3 |
| InChIKey | IBENGIFGAPNNOX-UHFFFAOYSA-N |
| Molecular Weight | 452.334 g/mol |
| SMILES | c1([n]2c(nn1)SC(=N2)c1c(Br)cccc1)-c1nn[n](c1C)-c1ccc(cc1)C |
| SPLASH | splash10-0303-7940400000-4596e649b63d1b4c9d74 |
| Source of Spectrum | QA-48-345-6 |
| Synonyms | 3-[5-Methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-6-(o-bromophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole 6-(2-bromophenyl)-3-[5-methyl-1-(4-methylphenyl)-4-triazolyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(2-bromophenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(2-bromophenyl)-3-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Wiley ID | 863458 |