SpectraBase Spectrum ID |
8aspBfBODXg |
Name |
Acetamide, 2-[[3-cyano-4-(4-fluorophenyl)-6-(2-thienyl)-2-pyridinyl]thio]-N-(2-iodophenyl)- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
570.968527625 u |
Formula |
C24H15FIN3OS2 |
InChI |
InChI=1S/C24H15FIN3OS2/c25-16-9-7-15(8-10-16)17-12-21(22-6-3-11-31-22)29-24(18(17)13-27)32-14-23(30)28-20-5-2-1-4-19(20)26/h1-12H,14H2,(H,28,30) |
InChIKey |
VJFOPIZQMPHXSF-UHFFFAOYSA-N |
Molecular Weight |
571.427 g/mol |
SMILES |
N(C(CSC1=C(C(=CC(C=2SC=CC2)=N1)C1=CC=C(C=C1)F)C#N)=O)C1=C(I)C=CC=C1 |