![3-[(o-fluorobenzoyl)carbamoyl]-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thiocarbazimidic acid, methyl ester](/api/spectrum/9xPpsHMtUWB/structure.png?h=300&w=458 "3-[(o-fluorobenzoyl)carbamoyl]-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thiocarbazimidic acid, methyl ester")
| SpectraBase Compound ID | 36xejDWrVNI |
|---|---|
| InChI | InChI=1S/C24H18F4N6O4S3/c1-39-23(31-30-22(36)29-21(35)16-5-2-3-6-17(16)25)33-41(37,38)15-10-8-14(9-11-15)34-18(19-7-4-12-40-19)13-20(32-34)24(26,27)28/h2-13H,1H3,(H,31,33)(H2,29,30,35,36) |
| InChIKey | CZWANOKLXGQMOV-UHFFFAOYSA-N |
| Mol Weight | 626.62 g/mol |
| Molecular Formula | C24H18F4N6O4S3 |
| Exact Mass | 626.048779 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9xPpsHMtUWB |
|---|---|
| Name | 3-[(o-fluorobenzoyl)carbamoyl]-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thiocarbazimidic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H18F4N6O4S3 |
| InChI | InChI=1S/C24H18F4N6O4S3/c1-39-23(31-30-22(36)29-21(35)16-5-2-3-6-17(16)25)33-41(37,38)15-10-8-14(9-11-15)34-18(19-7-4-12-40-19)13-20(32-34)24(26,27)28/h2-13H,1H3,(H,31,33)(H2,29,30,35,36) |
| InChIKey | CZWANOKLXGQMOV-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55873M |
| Solvent | CDCl3 |