| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C3N(C(=[N@H])NC(c2scc(c1cc(C#N)ccc1)c2)(C)C3)C |
| InChI | InChI | 1.03 | InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)14-7-13(10-23-14)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | MLNWGLXMDFUREO-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=N)N[C@@](C)(CC1=O)c2scc(c2)c3cccc(c3)C#N |
| SMILES | CACTVS | 3.370 | CN1C(=N)N[C](C)(CC1=O)c2scc(c2)c3cccc(c3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C/1\N[C@](CC(=O)N1C)(C)c2cc(cs2)c3cccc(c3)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1(CC(=O)N(C(=N)N1)C)c2cc(cs2)c3cccc(c3)C#N |
