![2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-5-(3-methylbenzylthio)-1,3,4-thiadiazole](/api/spectrum/FZ7vnqmNlJC/structure.png?h=300&w=458 "2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-5-(3-methylbenzylthio)-1,3,4-thiadiazole")
| SpectraBase Compound ID | AOxi2e9p6Sa |
|---|---|
| InChI | InChI=1S/C18H18N6S3/c1-11-5-4-6-14(7-11)9-26-18-22-21-15(27-18)10-25-17-20-16-19-12(2)8-13(3)24(16)23-17/h4-8H,9-10H2,1-3H3 |
| InChIKey | OPNBQWOTIANVSR-UHFFFAOYSA-N |
| Mol Weight | 414.56 g/mol |
| Molecular Formula | C18H18N6S3 |
| Exact Mass | 414.075508 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FZ7vnqmNlJC |
|---|---|
| Name | 2-((5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylthio)methyl)-5-(3-methylbenzylthio)-1,3,4-thiadiazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H18N6S3 |
| InChI | InChI=1S/C18H18N6S3/c1-11-5-4-6-14(7-11)9-26-18-22-21-15(27-18)10-25-17-20-16-19-12(2)8-13(3)24(16)23-17/h4-8H,9-10H2,1-3H3 |
| InChIKey | OPNBQWOTIANVSR-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1016/j.ejmech.2013.04.014 |
| Molecular Weight | 414.564 g/mol |
| SMILES | C=1C(C)=Nc2nc(n[n]2C1C)SCc1nnc(s1)SCc1cc(ccc1)C |
| SPLASH | splash10-0a4i-1900000000-a8e7b2a4918fbeca62a6 |
| Source of Spectrum | EMC-64-58-12 |
| Synonyms | 2-(((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)methyl)-5-((3-methylbenzyl)thio)-1,3,4-thiadiazole 2-[[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]methyl]-5-[(3-methylphenyl)methylthio]-1,3,4-thiadiazole 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-(m-tolylmethylsulfanyl)-1,3,4-thiadiazole 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazole |
| Wiley ID | 1755168 |