| SpectraBase Spectrum ID |
IF4UzIp8weq |
| Name |
2-[[3-(2-Chlorophenyl)-4-keto-quinazolin-2-yl]methylthio]-N-phenyl-acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.080825704 u |
| Formula |
C23H18ClN3O2S |
| InChI |
InChI=1S/C23H18ClN3O2S/c24-18-11-5-7-13-20(18)27-21(26-19-12-6-4-10-17(19)23(27)29)14-30-15-22(28)25-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,25,28) |
| InChIKey |
HCDDVXYRRVVTHO-UHFFFAOYSA-N |
| Molecular Weight |
435.929 g/mol |
| SMILES |
C1=CC=C(NC(CSCC=2N(C(C=3C=CC=CC3N2)=O)C=2C(Cl)=CC=CC2)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956711 |
![2-[[3-(2-chlorophenyl)-4-keto-quinazolin-2-yl]methylthio]-N-phenyl-acetamide](/api/spectrum/IF4UzIp8weq/structure.png?h=300&w=458 "2-[[3-(2-chlorophenyl)-4-keto-quinazolin-2-yl]methylthio]-N-phenyl-acetamide")
