| SpectraBase Compound ID | 2iovlbP4R79 |
|---|---|
| InChI | InChI=1S/C38H44N6O3S/c1-2-3-4-5-6-7-8-9-19-26-34(45)40-38(48)42-41-37(47)33(39-36(46)30-22-15-11-16-23-30)27-31-28-44(32-24-17-12-18-25-32)43-35(31)29-20-13-10-14-21-29/h10-18,20-25,27-28H,2-9,19,26H2,1H3,(H,39,46)(H,41,47)(H2,40,42,45,48) |
| InChIKey | HHOIKUMSPJFZCC-UHFFFAOYSA-N |
| Mol Weight | 664.9 g/mol |
| Molecular Formula | C38H44N6O3S |
| Exact Mass | 664.31956 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1HxY2sveHGV |
|---|---|
| Name | 1-(2-Benzamido-3-(1,3-diphenyl-1h-pyrazol-4-yl)acryloyl)-4-dodecanoylthiosemicarbazide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H44N6O3S |
| InChI | InChI=1S/C38H44N6O3S/c1-2-3-4-5-6-7-8-9-19-26-34(45)40-38(48)42-41-37(47)33(39-36(46)30-22-15-11-16-23-30)27-31-28-44(32-24-17-12-18-25-32)43-35(31)29-20-13-10-14-21-29/h10-18,20-25,27-28H,2-9,19,26H2,1H3,(H,39,46)(H,41,47)(H2,40,42,45,48) |
| InChIKey | HHOIKUMSPJFZCC-UHFFFAOYSA-N |
| Molecular Weight | 664.869 g/mol |
| SMILES | N(NC(=S)NC(CCCCCCCCCCC)=O)C(C(=Cc1c(n[n](c1)-c1ccccc1)-c1ccccc1)NC(c1ccccc1)=O)=O |
| SPLASH | splash10-001i-9410000000-dd2bf64d147039fb6b64 |
| Source of Spectrum | SK-46-716-3b |
| Synonyms | N-(1-(1,3-diphenyl-1H-pyrazol-4-yl)-3-(2-(dodecanoylcarbamothioyl)hydrazineyl)-3-oxoprop-1-en-2-yl)benzamide |
| Wiley ID | 1807206 |