| SpectraBase Spectrum ID |
6b9GX4ul8kL |
| Name |
5-(4-Chloro-phenylsulfanylmethyl)-2-phenyl-4-(phenyl-hydrazono)-2,4-dihydro- pyrazol-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.081160056 u |
| Formula |
C22H17ClN4OS |
| InChI |
InChI=1S/C22H17ClN4OS/c23-16-11-13-19(14-12-16)29-15-20-21(25-24-17-7-3-1-4-8-17)22(28)27(26-20)18-9-5-2-6-10-18/h1-14,24H,15H2/b25-21- |
| InChIKey |
BCRUATRTCSCZLY-DAFNUICNSA-N |
| Molecular Weight |
420.918 g/mol |
| SMILES |
C1(N(N=C(\C1=N/NC1=CC=CC=C1)CSC1=CC=C(C=C1)Cl)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876956 |
