| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Cc1nc(NC(=O)CC)sc1S(=O)(=O)Nc1cc(C#N)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H14N4O3S2/c1-3-12(19)17-14-16-9(2)13(22-14)23(20,21)18-11-6-4-5-10(7-11)8-15/h4-7,18H,3H2,1-2H3,(H,16,17,19) |
| InChIKey | InChI | 1.06 | AUZRVQWOOJLPJO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1sc(c(C)n1)[S](=O)(=O)Nc2cccc(c2)C#N |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1sc(c(C)n1)[S](=O)(=O)Nc2cccc(c2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1nc(c(s1)S(=O)(=O)Nc2cccc(c2)C#N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1nc(c(s1)S(=O)(=O)Nc2cccc(c2)C#N)C |
