![2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetanilide](/api/spectrum/29LwnkvfPQZ/structure.png?h=300&w=458 "2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetanilide")
| SpectraBase Compound ID | 8YMiJ7JSrTa |
|---|---|
| InChI | InChI=1S/C22H22N6OS/c1-3-27-19(14-16(2)26-27)21-24-25-22(28(21)18-12-8-5-9-13-18)30-15-20(29)23-17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3,(H,23,29) |
| InChIKey | MVIVTGCXBIWVRO-UHFFFAOYSA-N |
| Mol Weight | 418.52 g/mol |
| Molecular Formula | C22H22N6OS |
| Exact Mass | 418.157581 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29LwnkvfPQZ |
|---|---|
| Name | 2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetanilide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H22N6OS |
| InChI | InChI=1S/C22H22N6OS/c1-3-27-19(14-16(2)26-27)21-24-25-22(28(21)18-12-8-5-9-13-18)30-15-20(29)23-17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3,(H,23,29) |
| InChIKey | MVIVTGCXBIWVRO-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 59236M |
| Solvent | CDCl3 |