| SpectraBase Spectrum ID |
CvX26Fbgwwg |
| Name |
N-{{p-[5-(2-Thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thiocarbazimidic acid, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.026172720 u |
| Formula |
C16H14F3N5O2S3 |
| InChI |
InChI=1S/C16H14F3N5O2S3/c1-27-15(21-20)23-29(25,26)11-6-4-10(5-7-11)24-12(13-3-2-8-28-13)9-14(22-24)16(17,18)19/h2-9H,20H2,1H3,(H,21,23) |
| InChIKey |
CHPUNDGLIRWGFS-UHFFFAOYSA-N |
| Molecular Weight |
461.496 g/mol |
| SMILES |
C(F)(F)(F)C=1C=C(N(C2=CC=C(S(\N=C\(NN)SC)(=O)=O)C=C2)N1)C1=CC=CS1 |
![N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thiocarbazimidic acid, methyl ester](/api/spectrum/CvX26Fbgwwg/structure.png?h=300&w=458 "N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thiocarbazimidic acid, methyl ester")
