![6-Benzyl-3-(4-cyano-1,5-diphenyl-1H-pyrazole-3-yl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole](/api/spectrum/4RbaJiPq9xA/structure.png?h=300&w=458 "6-Benzyl-3-(4-cyano-1,5-diphenyl-1H-pyrazole-3-yl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole")
| SpectraBase Compound ID | 81B8UfFdMR3 |
|---|---|
| InChI | InChI=1S/C26H17N7S/c27-17-21-23(25-28-29-26-33(25)30-22(34-26)16-18-10-4-1-5-11-18)31-32(20-14-8-3-9-15-20)24(21)19-12-6-2-7-13-19/h1-15H,16H2 |
| InChIKey | KHXCCLHAVAOEEM-UHFFFAOYSA-N |
| Mol Weight | 459.53 g/mol |
| Molecular Formula | C26H17N7S |
| Exact Mass | 459.126615 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4RbaJiPq9xA |
|---|---|
| Name | 6-Benzyl-3-(4-cyano-1,5-diphenyl-1H-pyrazole-3-yl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole |
| Alternate Name(s) | 3-(6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-1,5-diphenyl-1H-pyrazole-4-carbonitrile 1,5-Diphenyl-3-[6-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-4-pyrazolecarbonitrile 3-(6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-1,5-diphenylpyrazole-4-carbonitrile 1,5-Diphenyl-3-[6-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyrazole-4-carbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H17N7S |
| InChI | InChI=1S/C26H17N7S/c27-17-21-23(25-28-29-26-33(25)30-22(34-26)16-18-10-4-1-5-11-18)31-32(20-14-8-3-9-15-20)24(21)19-12-6-2-7-13-19/h1-15H,16H2 |
| InChIKey | KHXCCLHAVAOEEM-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/ardp.200900176 |
| Molecular Weight | 459.531 g/mol |
| SMILES | c1(nnc2[n]1N=C(S2)Cc1ccccc1)-c1n[n](c(-c2ccccc2)c1C#N)-c1ccccc1 |
| SPLASH | splash10-004i-9220300000-e1e98729e1235a383273 |
| Source of Spectrum | APC-343-394-19b |
| Wiley ID | 1769072 |