| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(c1cccc(c1)n2c(nnn2)S(Cc3cccc(c3)Cl)(=O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C16H13ClN4O3S/c1-11(22)13-5-3-7-15(9-13)21-16(18-19-20-21)25(23,24)10-12-4-2-6-14(17)8-12/h2-9H,10H2,1H3 |
| InChIKey | InChI | 1.03 | VMFCIDSTIJTUES-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1cccc(c1)n2nnnc2[S](=O)(=O)Cc3cccc(Cl)c3 |
| SMILES | CACTVS | 3.385 | CC(=O)c1cccc(c1)n2nnnc2[S](=O)(=O)Cc3cccc(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)c1cccc(c1)n2c(nnn2)S(=O)(=O)Cc3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)c1cccc(c1)n2c(nnn2)S(=O)(=O)Cc3cccc(c3)Cl |
