| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#C\C(=C(/Sc1ccccc1N)N)C(/C#N)=C(/Sc2ccccc2N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N\C(Sc1ccccc1N)=C(C#N)/C(C#N)=C(\N)Sc2ccccc2N |
| SMILES | CACTVS | 3.341 | NC(Sc1ccccc1N)=C(C#N)C(C#N)=C(N)Sc2ccccc2N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)N)S/C(=C(\C#N)/C(=C(N)Sc2ccccc2N)C#N)/N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)N)SC(=C(C#N)C(=C(N)Sc2ccccc2N)C#N)N |
| InChI | InChI | 1.03 | InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+ |
| InChIKey | InChI | 1.03 | DVEXZJFMOKTQEZ-JYFOCSDGSA-N |
