![2-{[4-(p-chlorophenyl)-5-(1-ethyl-3-methylpyrazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}acetanilide](/api/spectrum/2nh899fANZp/structure.png?h=300&w=458 "2-{[4-(p-chlorophenyl)-5-(1-ethyl-3-methylpyrazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}acetanilide")
| SpectraBase Compound ID | 4r9mjvAcQF0 |
|---|---|
| InChI | InChI=1S/C22H21ClN6OS/c1-3-28-19(13-15(2)27-28)21-25-26-22(29(21)18-11-9-16(23)10-12-18)31-14-20(30)24-17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3,(H,24,30) |
| InChIKey | MXQZCSUSNZXZIO-UHFFFAOYSA-N |
| Mol Weight | 452.96 g/mol |
| Molecular Formula | C22H21ClN6OS |
| Exact Mass | 452.118608 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2nh899fANZp |
|---|---|
| Name | 2-{[4-(p-chlorophenyl)-5-(1-ethyl-3-methylpyrazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}acetanilide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H21ClN6OS |
| InChI | InChI=1S/C22H21ClN6OS/c1-3-28-19(13-15(2)27-28)21-25-26-22(29(21)18-11-9-16(23)10-12-18)31-14-20(30)24-17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3,(H,24,30) |
| InChIKey | MXQZCSUSNZXZIO-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 59241M |
| Solvent | DMSO-d6 |