SpectraBase Compound ID | Ej8BNgUWIxP |
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InChI | InChI=1S/C22H20ClN5OS/c1-3-27-19(13-15(2)26-27)21-24-25-22(28(21)18-11-9-17(23)10-12-18)30-14-20(29)16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3 |
InChIKey | UGVBBFQPYVAJMT-UHFFFAOYSA-N |
Mol Weight | 437.95 g/mol |
Molecular Formula | C22H20ClN5OS |
Exact Mass | 437.107709 g/mol |
SpectraBase Spectrum ID | CkZrlBcri1r |
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Name | 2-{[4-(p-chlorophenyl)-5-(1-ethyl-3-methylpyrazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}acetophenone |
Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C22H20ClN5OS |
InChI | InChI=1S/C22H20ClN5OS/c1-3-27-19(13-15(2)26-27)21-24-25-22(28(21)18-11-9-17(23)10-12-18)30-14-20(29)16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3 |
InChIKey | UGVBBFQPYVAJMT-UHFFFAOYSA-N |
Instrument Name | Varian CFT-20 |
Sadtler NMR Number | 59239M |
Solvent | CDCl3 |