| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCC1SCC2NC(=[N@H])NC12 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=N)N[C@H]12 |
| SMILES | CACTVS | 3.341 | OC(=O)CCCC[CH]1SC[CH]2NC(=N)N[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C2C(C(S1)CCCCC(=O)O)NC(=N)N2 |
| InChI | InChI | 1.03 | InChI=1S/C10H17N3O2S/c11-10-12-6-5-16-7(9(6)13-10)3-1-2-4-8(14)15/h6-7,9H,1-5H2,(H,14,15)(H3,11,12,13)/t6-,7-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | WWVANQJRLPIHNS-ZKWXMUAHSA-N |
