| SpectraBase Spectrum ID |
De8PHDIggBw |
| Name |
2-{2-[(p-Chlorophenyl)thio]-3-pyirdyl}-4-(p-methylbenzylidene)-2-oxazolin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.054276603 u |
| Formula |
C22H15ClN2O2S |
| InChI |
InChI=1S/C22H15ClN2O2S/c1-14-4-6-15(7-5-14)13-19-22(26)27-20(25-19)18-3-2-12-24-21(18)28-17-10-8-16(23)9-11-17/h2-13H,1H3 |
| InChIKey |
UCZNUEVHOCCNJB-UHFFFAOYSA-N |
| Molecular Weight |
406.887 g/mol |
| SMILES |
C=1C(=CC=C(C1)Cl)SC=1N=CC=CC1C=1OC(C(N1)=CC=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.791695 |
![2-{2-[(p-Chlorophenyl)thio]-3-pyirdyl}-4-(p-methylbenzylidene)-2-oxazolin-5-one](/api/spectrum/De8PHDIggBw/structure.png?h=300&w=458 "2-{2-[(p-Chlorophenyl)thio]-3-pyirdyl}-4-(p-methylbenzylidene)-2-oxazolin-5-one")
