| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1nccs1)C1CCCN(C1)c1ccc(C#N)cn1 |
| InChI | InChI | 1.06 | InChI=1S/C15H15N5OS/c16-8-11-3-4-13(18-9-11)20-6-1-2-12(10-20)14(21)19-15-17-5-7-22-15/h3-5,7,9,12H,1-2,6,10H2,(H,17,19,21)/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | KYBSSKSLTPOZCU-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1sccn1)[C@@H]2CCCN(C2)c3ccc(cn3)C#N |
| SMILES | CACTVS | 3.385 | O=C(Nc1sccn1)[CH]2CCCN(C2)c3ccc(cn3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ncc1C#N)N2CCC[C@H](C2)C(=O)Nc3nccs3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ncc1C#N)N2CCCC(C2)C(=O)Nc3nccs3 |
