| SpectraBase Spectrum ID |
5tdXnpauEOP |
| Name |
3H-1,2,4-Triazole-3-thione, 5-[(3,4-dimethylphenoxy)methyl]-2,4-dihydro-4-phenyl-2-(1-piperidinylmethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.198382711 u |
| Formula |
C23H28N4OS |
| InChI |
InChI=1S/C23H28N4OS/c1-18-11-12-21(15-19(18)2)28-16-22-24-26(17-25-13-7-4-8-14-25)23(29)27(22)20-9-5-3-6-10-20/h3,5-6,9-12,15H,4,7-8,13-14,16-17H2,1-2H3 |
| InChIKey |
WVGQHEHVGFSAOU-UHFFFAOYSA-N |
| Molecular Weight |
408.564 g/mol |
| SMILES |
C=1(C=C(OCC2=NN(C(=S)N2C2=CC=CC=C2)CN2CCCCC2)C=CC1C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858969 |
![3H-1,2,4-Triazole-3-thione, 5-[(3,4-dimethylphenoxy)methyl]-2,4-dihydro-4-phenyl-2-(1-piperidinylmethyl)-](/api/spectrum/5tdXnpauEOP/structure.png?h=300&w=458 "3H-1,2,4-Triazole-3-thione, 5-[(3,4-dimethylphenoxy)methyl]-2,4-dihydro-4-phenyl-2-(1-piperidinylmethyl)-")
