| Properties | Image |
|---|
| MNX_ID | MNXM529217 |
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| reference | chebi:112233 |
| formula | C23H21N5O3S |
| global charge | 0 |
| mol weight | 447.52 |
| 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)C1=CC2=C(C=C1)N(CC)C(SCC(=O)C(C#N)C1=NC3=CC=CC=C3N1)=N2 |
MNX internals
| InChI (mnx) | InChI=1/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)/t15? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][N:28]1[C:19]2=[C:18]([CH:11]=[C:14]([C:22](=[O:30])[O:31][CH2:4][CH3:2])[CH:9]=[CH:10]2)[N:27]=[C:23]1[S:32][CH2:13][C:20]([CH:15]([C:12]#[N:24])[C:21]1=[N:25][C:16]2=[CH:7][CH:5]=[CH:6][CH:8]=[C:17]2[NH:26]1)=[O:29] |
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