![2-(3-Bromobenzylthio)-5-((5,7-dimethyl-[1,2,4]triazolo[1,5-](/api/spectrum/F4qFHPbVdHg/structure.png?h=300&w=458 "2-(3-Bromobenzylthio)-5-((5,7-dimethyl-[1,2,4]triazolo[1,5-")
| SpectraBase Compound ID | 9gwF4FnbyZ4 |
|---|---|
| InChI | InChI=1S/C17H15BrN6S3/c1-10-6-11(2)24-15(19-10)20-16(23-24)25-9-14-21-22-17(27-14)26-8-12-4-3-5-13(18)7-12/h3-7H,8-9H2,1-2H3 |
| InChIKey | GTHMGRGTKBJIAY-UHFFFAOYSA-N |
| Mol Weight | 479.43 g/mol |
| Molecular Formula | C17H15BrN6S3 |
| Exact Mass | 477.970371 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F4qFHPbVdHg |
|---|---|
| Name | 2-(3-Bromobenzylthio)-5-((5,7-dimethyl-[1,2,4]triazolo[1,5- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H15BrN6S3 |
| InChI | InChI=1S/C17H15BrN6S3/c1-10-6-11(2)24-15(19-10)20-16(23-24)25-9-14-21-22-17(27-14)26-8-12-4-3-5-13(18)7-12/h3-7H,8-9H2,1-2H3 |
| InChIKey | GTHMGRGTKBJIAY-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1016/j.ejmech.2013.04.014 |
| Molecular Weight | 479.433 g/mol |
| SMILES | C=1C(C)=Nc2nc(n[n]2C1C)SCc1nnc(s1)SCc1cc(ccc1)Br |
| SPLASH | splash10-052r-3910000000-0e1a0ed87791ce8f978f |
| Source of Spectrum | EMC-64-59-17 |
| Synonyms | a]pyrimidin-2-ylthio)methyl)-1,3,4-thiadiazole 2-((3-bromobenzyl)thio)-5-(((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)methyl)-1,3,4-thiadiazole 2-[(3-bromophenyl)methylthio]-5-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]-1,3,4-thiadiazole 2-[(3-bromophenyl)methylsulfanyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole |
| Wiley ID | 1755173 |