| SpectraBase Spectrum ID |
G2nuptpakBK |
| Name |
2-Cyano-N-(9,10-dioxo-9,10-dihydro-anthracen-2-yl)-3-methylsulfanyl-3-phenylamino-acrylamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.099062590 u |
| Formula |
C25H17N3O3S |
| InChI |
InChI=1S/C25H17N3O3S/c1-32-25(28-15-7-3-2-4-8-15)21(14-26)24(31)27-16-11-12-19-20(13-16)23(30)18-10-6-5-9-17(18)22(19)29/h2-13,28H,1H3,(H,27,31)/b25-21- |
| InChIKey |
LNSKAYWQVBSLKB-DAFNUICNSA-N |
| Molecular Weight |
439.489 g/mol |
| SMILES |
C=1(N\C(=C\(C(NC=2C=C3C(C=4C=CC=CC4C(C3=CC2)=O)=O)=O)C#N)SC)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950467 |
