SpectraBase Spectrum ID |
Jqbrb5OVT39 |
Name |
N-(4-Chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-ethanamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
478.111791480 u |
Formula |
C26H23ClN2O3S |
InChI |
InChI=1S/C26H23ClN2O3S/c27-20-11-13-21(14-12-20)28-24(30)17-33-23-15-25(31)29(26(23)32)16-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22-23H,15-17H2,(H,28,30) |
InChIKey |
IHENIVMXTWMAPE-UHFFFAOYSA-N |
Molecular Weight |
478.994 g/mol |
SMILES |
C1=CC=C(C(CN2C(C(SCC(NC=3C=CC(=CC3)Cl)=O)CC2=O)=O)C2=CC=CC=C2)C=C1 |