| SpectraBase Spectrum ID |
HbfCrfUTnkk |
| Name |
Methanone, [1,2-dihydro-5-methyl-6-(4-methylphenyl)-4-(methylthio)-1-phenyl-2-thioxo-3-pyridinyl](4-methylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.137756776 u |
| Formula |
C28H25NOS2 |
| InChI |
InChI=1S/C28H25NOS2/c1-18-14-16-21(17-15-18)26(30)24-27(32-4)20(3)25(23-13-9-8-10-19(23)2)29(28(24)31)22-11-6-5-7-12-22/h5-17H,1-4H3 |
| InChIKey |
PRYYUVAIDGASLI-UHFFFAOYSA-N |
| Molecular Weight |
455.634 g/mol |
| SMILES |
C=1(C(N(C=2C=CC=CC2)C(=C(C1SC)C)C=1C(C)=CC=CC1)=S)C(C=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947118 |
-](/api/spectrum/HbfCrfUTnkk/structure.png?h=300&w=458 "Methanone, [1,2-dihydro-5-methyl-6-(4-methylphenyl)-4-(methylthio)-1-phenyl-2-thioxo-3-pyridinyl](4-methylphenyl)-")
