| SpectraBase Spectrum ID |
3XMzpsiAzo |
| Name |
2-(methylthio)-1-(2-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl)propan-1-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22N4OS |
| InChI |
InChI=1S/C17H22N4OS/c1-12(23-2)17(22)21-11-7-6-10-14(21)16-18-15(19-20-16)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H,18,19,20) |
| InChIKey |
VARHMLAVKNNUTD-UHFFFAOYSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
330.450 g/mol |
| SMILES |
[nH]1c(nnc1C1N(C(C(SC)C)=O)CCCC1)-c1ccccc1 |
| SPLASH |
splash10-00ai-2490000000-450253da4650226d37e4 |
| Source of Spectrum |
WO2021074281A1 |
| Wiley ID |
1880006 |
