| SpectraBase Spectrum ID |
KK4LgCXP6fu |
| Name |
5-Cyano-6-(ethylthio)-4-(4-hydroxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.135448100 u |
| Formula |
C22H21N3O2S |
| InChI |
InChI=1S/C22H21N3O2S/c1-3-28-22-18(13-23)20(15-9-11-17(26)12-10-15)19(14(2)24-22)21(27)25-16-7-5-4-6-8-16/h4-12,20,24,26H,3H2,1-2H3,(H,25,27) |
| InChIKey |
VXHPHFRYLYKAEY-UHFFFAOYSA-N |
| Molecular Weight |
391.489 g/mol |
| SMILES |
C=1(C(C(C#N)=C(NC1C)SCC)C1=CC=C(C=C1)O)C(NC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913771 |
