SpectraBase Spectrum ID |
3BT47KZQUcD |
Name |
2-Fluoro-N-(4-{(2E)-3-[4-(methylsulfanyl)phenyl]-2-propenoyl}phenyl)benzamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
391.104228159 u |
Formula |
C23H18FNO2S |
InChI |
InChI=1S/C23H18FNO2S/c1-28-19-13-6-16(7-14-19)8-15-22(26)17-9-11-18(12-10-17)25-23(27)20-4-2-3-5-21(20)24/h2-15H,1H3,(H,25,27)/b15-8+ |
InChIKey |
VOKAUGRLRKAITH-OVCLIPMQSA-N |
Molecular Weight |
391.460 g/mol |
SMILES |
N(C(C1=C(F)C=CC=C1)=O)C=1C=CC(C(\C=C\C=2C=CC(=CC2)SC)=O)=CC1 |