| SpectraBase Spectrum ID |
7bQPmdEi2MG |
| Name |
1-Methyl-3-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}-2-thiourea |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.015273684 u |
| 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 |
| Molecular Weight |
446.481 g/mol |
| SMILES |
C(F)(F)(F)C=1C=C(N(C2=CC=C(S(=O)(=O)NC(NC)=S)C=C2)N1)C1=CC=CS1 |
![1-Methyl-3-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}-2-thiourea](/api/spectrum/7bQPmdEi2MG/structure.png?h=300&w=458 "1-Methyl-3-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}-2-thiourea")
