| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c3sc(c2nnn(c1cc(C#N)ccc1)c2)cc3)N |
| InChI | InChI | 1.03 | InChI=1S/C13H9N5O2S2/c14-7-9-2-1-3-10(6-9)18-8-11(16-17-18)12-4-5-13(21-12)22(15,19)20/h1-6,8H,(H2,15,19,20) |
| InChIKey | InChI | 1.03 | SUOSUWXLPRQCMG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1sc(cc1)c2cn(nn2)c3cccc(c3)C#N |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1sc(cc1)c2cn(nn2)c3cccc(c3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N)C#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N)C#N |
