| Properties | Image | Occurences in reactions |
MNX_ID | MNXM529217 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C23H21N5O3S |
charge | 0 |
mass | 447.13651 |
reference | chebi:112233 |
InChIKey | ZGCHXKGYNHECBU-UHFFFAOYSA-N |
InChI | InChI=1S/C23H21N5O3S/c1-3-28-19-10-9-14(22(30)31-4-2)11-18(19)27-23(28)32-13-20(29)15(12-24)21-25-16-7-5-6-8-17(16)26-21/h5-11,15H,3-4,13H2,1-2H3,(H,25,26) |
SMILES | CCOC(=O)c1ccc2c(c1)nc(SCC(=O)C(C#N)c1nc3ccccc3[nH]1)n2CC |
|