| SpectraBase Spectrum ID |
l6FihNYoQx |
| Name |
4-(3-Chloro-phenyl)-5-cyano-2-methyl-6-(2-oxo-2-phenyl-ethylsulfanyl)-N-O-tolyl-nicotinamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H22ClN3O2S |
| InChI |
InChI=1S/C29H22ClN3O2S/c1-18-9-6-7-14-24(18)33-28(35)26-19(2)32-29(36-17-25(34)20-10-4-3-5-11-20)23(16-31)27(26)21-12-8-13-22(30)15-21/h3-15H,17H2,1-2H3,(H,33,35) |
| InChIKey |
KFQBFSIZQWLLAR-UHFFFAOYSA-N |
| Molecular Weight |
512.027 g/mol |
| SMILES |
N(C(c1c(c(C#N)c(nc1C)SCC(=O)c1ccccc1)-c1cc(Cl)ccc1)=O)c1c(C)cccc1 |
| SPLASH |
splash10-0a4i-3910310000-20e25f3f27052fdeb595 |
| Synonyms |
4-(3-Chlorophenyl)-5-cyano-2-methyl-N-(2-methylphenyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]nicotinamide |
| Wiley ID |
1460730 |
