| SpectraBase Spectrum ID |
3kimTx8TTJA |
| Name |
Dithio-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}imidocarbonic acid, dimethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
476.992095886 u |
| Formula |
C17H14F3N3O2S4 |
| InChI |
InChI=1S/C17H14F3N3O2S4/c1-26-16(27-2)22-29(24,25)12-7-5-11(6-8-12)23-13(14-4-3-9-28-14)10-15(21-23)17(18,19)20/h3-10H,1-2H3 |
| InChIKey |
YVJYZHMWYKWGSP-UHFFFAOYSA-N |
| Molecular Weight |
477.553 g/mol |
| SMILES |
C(F)(F)(F)C1=NN(C(=C1)C1=CC=CS1)C=1C=CC(=CC1)S(=O)(=O)N=C(SC)SC |
![dithio-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}imidocarbonic acid, dimethyl ester](/api/spectrum/3kimTx8TTJA/structure.png?h=300&w=458 "dithio-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}imidocarbonic acid, dimethyl ester")
