![1-(5'-Methylimidazol-4'-yl)-5-(benzoylimino)-4,6-diaza-8-[(2"-pyridylmethyl)thio]octane](/api/spectrum/GLzTYNxOPTK/structure.png?h=300&w=458 "1-(5'-Methylimidazol-4'-yl)-5-(benzoylimino)-4,6-diaza-8-[(2\"-pyridylmethyl)thio]octane")
| SpectraBase Compound ID | JuZ8brOuMFb |
|---|---|
| InChI | InChI=1S/C23H28N6OS/c1-18-21(28-17-27-18)11-7-13-25-23(29-22(30)19-8-3-2-4-9-19)26-14-15-31-16-20-10-5-6-12-24-20/h2-6,8-10,12,17H,7,11,13-16H2,1H3,(H,27,28)(H2,25,26,29,30) |
| InChIKey | BCDXCIYUMRENII-UHFFFAOYSA-N |
| Mol Weight | 436.58 g/mol |
| Molecular Formula | C23H28N6OS |
| Exact Mass | 436.204531 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GLzTYNxOPTK |
|---|---|
| Name | 1-(5'-Methylimidazol-4'-yl)-5-(benzoylimino)-4,6-diaza-8-[(2"-pyridylmethyl)thio]octane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H28N6OS |
| InChI | InChI=1S/C23H28N6OS/c1-18-21(28-17-27-18)11-7-13-25-23(29-22(30)19-8-3-2-4-9-19)26-14-15-31-16-20-10-5-6-12-24-20/h2-6,8-10,12,17H,7,11,13-16H2,1H3,(H,27,28)(H2,25,26,29,30) |
| InChIKey | BCDXCIYUMRENII-UHFFFAOYSA-N |
| Molecular Weight | 436.578 g/mol |
| SMILES | N(\C(=N/C(=O)c1ccccc1)NCCSCc1ncccc1)CCCc1c([nH]cn1)C |
| SPLASH | splash10-002e-9100100000-1846798149581fa242f7 |
| Source of Spectrum | D8-325-473-7 |
| Wiley ID | 1514440 |