| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)NC1=NC(SC)=C(C#N)C2(CCCCC2)C1C#N |
| InChI | InChI | 1.06 | InChI=1S/C15H18N4OS/c1-10(20)18-13-11(8-16)15(6-4-3-5-7-15)12(9-17)14(19-13)21-2/h11H,3-7H2,1-2H3,(H,18,19,20)/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | NZKPFLQQMFCJHQ-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSC1=C(C#N)C2(CCCCC2)[C@H](C#N)C(=N1)NC(C)=O |
| SMILES | CACTVS | 3.385 | CSC1=C(C#N)C2(CCCCC2)[CH](C#N)C(=N1)NC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1=NC(=C(C2(C1C#N)CCCCC2)C#N)SC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1=NC(=C(C2(C1C#N)CCCCC2)C#N)SC |
