| SpectraBase Spectrum ID |
CL9ZOIS4c5V |
| Name |
(4S,4'S)-4-(1-Benzoyl-4-phenyl-1,4-dihydropyridin-3-yl)-3-(2'-thioxo-4'-benzyl-1',3'-thiazolidine-3'-yl)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.127920367 u |
| Formula |
C29H24N2O2S2 |
| InChI |
InChI=1S/C29H24N2O2S2/c32-27(23-14-8-3-9-15-23)30-17-16-25(22-12-6-2-7-13-22)26(19-30)28(33)31-24(20-35-29(31)34)18-21-10-4-1-5-11-21/h1-17,19,24-25H,18,20H2/t24-,25-/m0/s1 |
| InChIKey |
IUYYZOVQBATFTM-DQEYMECFSA-N |
| Molecular Weight |
496.643 g/mol |
| SMILES |
C1(C(N2C(SC[C@@]2(CC2=CC=CC=C2)[H])=S)=O)=CN(C(=O)C=2C=CC=CC2)C=C[C@]1(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895907 |
