SpectraBase Spectrum ID |
3hIAfJ1ekhY |
Name |
Acetamide, N-[2-(4-chlorophenyl)ethyl]-2-[[4-cyano-1,6-diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-trien-5-yl]thio]- |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H21ClN4OS |
InChI |
InChI=1S/C21H21ClN4OS/c22-17-3-1-14(2-4-17)5-8-24-19(27)13-28-21-16(12-23)11-18-20(25-21)15-6-9-26(18)10-7-15/h1-4,11,15H,5-10,13H2,(H,24,27) |
InChIKey |
NBJUPOLXQGMMLJ-UHFFFAOYSA-N |
Molecular Weight |
412.939 g/mol |
SMILES |
N(C(CSc1nc2c(cc1C#N)N1CCC2CC1)=O)CCc1ccc(cc1)Cl |
SPLASH |
splash10-053r-5690000000-57692ca0598aada1a31d |
Source of Spectrum |
IY-1-4591-9 |
Wiley ID |
1653902 |