![N-Cyclohexyl-2-({5-[hydroxy(phenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide](/api/spectrum/AVs98I24NEX/structure.png?h=300&w=458 "N-Cyclohexyl-2-({5-[hydroxy(phenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide")
| SpectraBase Compound ID | FFZlLispn6O |
|---|---|
| InChI | InChI=1S/C23H26N4O2S/c28-20(24-18-12-6-2-7-13-18)16-30-23-26-25-22(21(29)17-10-4-1-5-11-17)27(23)19-14-8-3-9-15-19/h1,3-5,8-11,14-15,18,21,29H,2,6-7,12-13,16H2,(H,24,28) |
| InChIKey | MRMKBEWFMRDABX-UHFFFAOYSA-N |
| Mol Weight | 422.55 g/mol |
| Molecular Formula | C23H26N4O2S |
| Exact Mass | 422.177647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AVs98I24NEX |
|---|---|
| Name | N-Cyclohexyl-2-({5-[hydroxy(phenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.177647265 u |
| Formula | C23H26N4O2S |
| InChI | InChI=1S/C23H26N4O2S/c28-20(24-18-12-6-2-7-13-18)16-30-23-26-25-22(21(29)17-10-4-1-5-11-17)27(23)19-14-8-3-9-15-19/h1,3-5,8-11,14-15,18,21,29H,2,6-7,12-13,16H2,(H,24,28) |
| InChIKey | MRMKBEWFMRDABX-UHFFFAOYSA-N |
| Molecular Weight | 422.547 g/mol |
| SMILES | C=1(N(C(SCC(NC2CCCCC2)=O)=NN1)C1=CC=CC=C1)C(C=1C=CC=CC1)O |