| SpectraBase Compound ID | JB6XmwbCDdZ |
|---|---|
| InChI | InChI=1S/C21H20ClN5S/c1-3-26-19(13-15(2)25-26)20-23-24-21(28-14-16-7-5-4-6-8-16)27(20)18-11-9-17(22)10-12-18/h4-13H,3,14H2,1-2H3 |
| InChIKey | ZKUYVIXEOPKDOK-UHFFFAOYSA-N |
| Mol Weight | 409.94 g/mol |
| Molecular Formula | C21H20ClN5S |
| Exact Mass | 409.112795 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ZRyyDTmZeQ |
|---|---|
| Name | 3-(benzylthio)-4-(p-chlorophenyl)-5-(1-ethyl-3-methylpyrazol-5-yl)-4H-1,2,4-triazole |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H20ClN5S |
| InChI | InChI=1S/C21H20ClN5S/c1-3-26-19(13-15(2)25-26)20-23-24-21(28-14-16-7-5-4-6-8-16)27(20)18-11-9-17(22)10-12-18/h4-13H,3,14H2,1-2H3 |
| InChIKey | ZKUYVIXEOPKDOK-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 59240M |
| Solvent | CDCl3 |