| SpectraBase Spectrum ID |
KVXIX1Mhl04 |
| Name |
2-Keto-6-(4-methoxyphenyl)-4-(1-phenyl-2-thioxo-3-pyridyl)-1H-pyridine-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.104147971 u |
| Formula |
C24H17N3O2S |
| InChI |
InChI=1S/C24H17N3O2S/c1-29-18-11-9-16(10-12-18)22-14-20(21(15-25)23(28)26-22)19-8-5-13-27(24(19)30)17-6-3-2-4-7-17/h2-14H,1H3,(H,26,28) |
| InChIKey |
VEFKAOPONBCFTP-UHFFFAOYSA-N |
| Molecular Weight |
411.479 g/mol |
| SMILES |
C1(=C(C(=O)NC(=C1)C=1C=CC(=CC1)OC)C#N)C=1C(N(C=2C=CC=CC2)C=CC1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91411 |
