SpectraBase Spectrum ID |
Es3Svc9bPMp |
Name |
(Z)-5-(4-Methylbenzylidene)-2-(phenylamino)thiazol-4(5H)-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
294.082684252 u |
Formula |
C17H14N2OS |
InChI |
InChI=1S/C17H14N2OS/c1-12-7-9-13(10-8-12)11-15-16(20)19-17(21-15)18-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19,20)/b15-11- |
InChIKey |
CUZVVKUWUQUVKK-PTNGSMBKSA-N |
SMILES |
C1(\C=C/2SC(=NC2=O)NC2=CC=CC=C2)=CC=C(C=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923476 |