![6-(2-fluorophenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole](/api/spectrum/6G8oqR55NcQ/structure.png?h=300&w=458 "6-(2-fluorophenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole")
| SpectraBase Compound ID | GaAfq0v1cRx |
|---|---|
| InChI | InChI=1S/C19H14FN7S/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 | KEPZDHLPYMTPQE-UHFFFAOYSA-N |
| Mol Weight | 391.43 g/mol |
| Molecular Formula | C19H14FN7S |
| Exact Mass | 391.101543 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6G8oqR55NcQ |
|---|---|
| Name | 3-[5-Methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-6-(o-fluorophenyl)-1,3,4-triazolo[3,4-b]-1,3,4-thiadiazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H14FN7S |
| InChI | InChI=1S/C19H14FN7S/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 | KEPZDHLPYMTPQE-UHFFFAOYSA-N |
| Molecular Weight | 391.428 g/mol |
| SMILES | c1([n]2c(nn1)SC(=N2)c1c(F)cccc1)-c1nn[n](c1C)-c1ccc(cc1)C |
| SPLASH | splash10-03xr-6936000000-ba775f53a851f1fd6fad |
| Source of Spectrum | QA-48-345-6 |
| Synonyms | 3-[5-Methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-6-(o-fluorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole 6-(2-fluorophenyl)-3-[5-methyl-1-(4-methylphenyl)-4-triazolyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(2-fluorophenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-(2-fluorophenyl)-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 | 863460 |