| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c4sc(c3nnn(c2c1ccccc1ccc2)c3)cc4)N |
| InChI | InChI | 1.03 | InChI=1S/C16H12N4O2S2/c17-24(21,22)16-9-8-15(23-16)13-10-20(19-18-13)14-7-3-5-11-4-1-2-6-12(11)14/h1-10H,(H2,17,21,22) |
| InChIKey | InChI | 1.03 | KNFVNHRBTIJTNM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1sc(cc1)c2cn(nn2)c3cccc4ccccc34 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1sc(cc1)c2cn(nn2)c3cccc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cccc2n3cc(nn3)c4ccc(s4)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cccc2n3cc(nn3)c4ccc(s4)S(=O)(=O)N |
