SpectraBase Spectrum ID |
F5fBKvzFkFb |
Name |
Acetamide, 2-[[4-cyano-1,6-diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-trien-5-yl]thio]-N-[3-(trifluoromethyl)phenyl]- |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C20H17F3N4OS |
InChI |
InChI=1S/C20H17F3N4OS/c21-20(22,23)14-2-1-3-15(9-14)25-17(28)11-29-19-13(10-24)8-16-18(26-19)12-4-6-27(16)7-5-12/h1-3,8-9,12H,4-7,11H2,(H,25,28) |
InChIKey |
BCAFVZUSWHMWMG-UHFFFAOYSA-N |
Molecular Weight |
418.438 g/mol |
SMILES |
N(C(CSc1nc2c(cc1C#N)N1CCC2CC1)=O)c1cccc(c1)C(F)(F)F |
SPLASH |
splash10-0a59-5590000000-e5a53b75ce704a10f7a4 |
Source of Spectrum |
IY-1-4592-7 |
Wiley ID |
1653910 |