| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CN1C(=O)C(=C(N2CCN(CC2)C(=O)c3sccc3)c4ccccc14)C#N |
| SMILES | CACTVS | 3.352 | CN1C(=O)C(=C(N2CCN(CC2)C(=O)c3sccc3)c4ccccc14)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN1c2ccccc2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)c4cccs4 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN1c2ccccc2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)c4cccs4 |
| InChI | InChI | 1.03 | InChI=1S/C20H18N4O2S/c1-22-16-6-3-2-5-14(16)18(15(13-21)19(22)25)23-8-10-24(11-9-23)20(26)17-7-4-12-27-17/h2-7,12H,8-11H2,1H3 |
| InChIKey | InChI | 1.03 | GGGJOEPOPVIHEK-UHFFFAOYSA-N |
