| SpectraBase Spectrum ID |
6BrLLdUocKh |
| Name |
1H-Imidazole-4-acetamide, 1-[(4-fluorophenyl)methyl]tetrahydro-3-(1-methylethyl)-5-oxo-N-phenyl-2-thioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.141676295 u |
| Formula |
C21H22FN3O2S |
| InChI |
InChI=1S/C21H22FN3O2S/c1-14(2)25-18(12-19(26)23-17-6-4-3-5-7-17)20(27)24(21(25)28)13-15-8-10-16(22)11-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,23,26) |
| InChIKey |
NCTAEVPBZSFFEV-UHFFFAOYSA-N |
| Molecular Weight |
399.484 g/mol |
| SMILES |
C1=CC=C(NC(CC2C(N(C(N2C(C)C)=S)CC=2C=CC(F)=CC2)=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835431 |
![1H-Imidazole-4-acetamide, 1-[(4-fluorophenyl)methyl]tetrahydro-3-(1-methylethyl)-5-oxo-N-phenyl-2-thioxo-](/api/spectrum/6BrLLdUocKh/structure.png?h=300&w=458 "1H-Imidazole-4-acetamide, 1-[(4-fluorophenyl)methyl]tetrahydro-3-(1-methylethyl)-5-oxo-N-phenyl-2-thioxo-")
