| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1C(C(=O)O)CS)NC(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)Nc1ccc(Cl)c(c1)[C@@H](CS)C(O)=O |
| SMILES | CACTVS | 3.341 | NC(=N)Nc1ccc(Cl)c(c1)[CH](CS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1NC(=N)N)[C@@H](CS)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1NC(=N)N)C(CS)C(=O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C10H12ClN3O2S/c11-8-2-1-5(14-10(12)13)3-6(8)7(4-17)9(15)16/h1-3,7,17H,4H2,(H,15,16)(H4,12,13,14)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | DDXTYELBFUMBFH-SSDOTTSWSA-N |
