![1-methyl-3-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}-2-thiourea](/api/spectrum/CGT0eGgfMYT/structure.png?h=300&w=458 "1-methyl-3-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}-2-thiourea")
| SpectraBase Compound ID | 8US3mlT1wt5 |
|---|---|
| InChI | InChI=1S/C16H13F3N4O2S3/c1-20-15(26)22-28(24,25)11-6-4-10(5-7-11)23-12(13-3-2-8-27-13)9-14(21-23)16(17,18)19/h2-9H,1H3,(H2,20,22,26) |
| InChIKey | XHMPOTFPROHCRR-UHFFFAOYSA-N |
| Mol Weight | 446.48 g/mol |
| Molecular Formula | C16H13F3N4O2S3 |
| Exact Mass | 446.015274 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CGT0eGgfMYT |
|---|---|
| Name | 1-methyl-3-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}-2-thiourea |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H13F3N4O2S3 |
| InChI | InChI=1S/C16H13F3N4O2S3/c1-20-15(26)22-28(24,25)11-6-4-10(5-7-11)23-12(13-3-2-8-27-13)9-14(21-23)16(17,18)19/h2-9H,1H3,(H2,20,22,26) |
| InChIKey | XHMPOTFPROHCRR-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55867M |
| Solvent | Polysol |