| SpectraBase Spectrum ID |
4EaJy9PN9AH |
| Name |
2-(2-oxo-2-Phenyl-ethylsulfanyl)-1-thia-3,3A,9-triaza-cyclopenta[B]naphthalen-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.029268952 u |
| Formula |
C17H11N3O2S2 |
| InChI |
InChI=1S/C17H11N3O2S2/c21-14(11-6-2-1-3-7-11)10-23-17-19-20-15(22)12-8-4-5-9-13(12)18-16(20)24-17/h1-9H,10H2 |
| InChIKey |
NBFPNOJPVNMDBZ-UHFFFAOYSA-N |
| Molecular Weight |
353.414 g/mol |
| SMILES |
C1=CC=C(C=C1)C(CSC=1SC=2N(C(C=3C(N2)=CC=CC3)=O)N1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896088 |
![2-(2-Oxo-2-phenyl-ethylsulfanyl)-1-thia-3,3a,9-triaza-cyclopenta[b]naphthalen-4-one](/api/spectrum/4EaJy9PN9AH/structure.png?h=300&w=458 "2-(2-Oxo-2-phenyl-ethylsulfanyl)-1-thia-3,3a,9-triaza-cyclopenta[b]naphthalen-4-one")
