| SpectraBase Spectrum ID |
79F8EuUH90Y |
| Name |
Propanoic acid, 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.135113747 u |
| Formula |
C24H22N2O3S |
| InChI |
InChI=1S/C24H22N2O3S/c1-4-29-24(27)16(2)30-23-21(15-25)20(17-10-12-19(28-3)13-11-17)14-22(26-23)18-8-6-5-7-9-18/h5-14,16H,4H2,1-3H3 |
| InChIKey |
FEBRMSZIOISRAE-UHFFFAOYSA-N |
| Molecular Weight |
418.511 g/mol |
| SMILES |
C1(=C(C(C2=CC=C(C=C2)OC)=CC(=N1)C=1C=CC=CC1)C#N)SC(C(=O)OCC)C |
![Propanoic acid, 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-, ethyl ester](/api/spectrum/79F8EuUH90Y/structure.png?h=300&w=458 "Propanoic acid, 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-, ethyl ester")
