| SpectraBase Spectrum ID |
3uwKmJ14Fc |
| Name |
1-(2-(5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)-2-(methylthio)propan-1-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21FN4OS |
| InChI |
InChI=1S/C17H21FN4OS/c1-11(24-2)17(23)22-10-4-3-5-14(22)16-19-15(20-21-16)12-6-8-13(18)9-7-12/h6-9,11,14H,3-5,10H2,1-2H3,(H,19,20,21) |
| InChIKey |
RUCQKYYCTHFEOK-UHFFFAOYSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
348.440 g/mol |
| SMILES |
[nH]1c(nnc1C1N(C(C(C)SC)=O)CCCC1)-c1ccc(cc1)F |
| SPLASH |
splash10-0f7n-3494000000-1a07696aeea6ff2aa156 |
| Source of Spectrum |
WO2021074281A1 |
| Wiley ID |
1880005 |
