| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1cc(ccc1CS(NC(C2(CCCCC2)c3ccsc3)=O)(=O)=O)C#N |
| InChI | InChI | 1.03 | InChI=1S/C19H20N2O3S2/c20-12-15-4-6-16(7-5-15)14-26(23,24)21-18(22)19(9-2-1-3-10-19)17-8-11-25-13-17/h4-8,11,13H,1-3,9-10,14H2,(H,21,22) |
| InChIKey | InChI | 1.03 | KAEXAGMLFGNNER-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N[S](=O)(=O)Cc1ccc(cc1)C#N)C2(CCCCC2)c3cscc3 |
| SMILES | CACTVS | 3.385 | O=C(N[S](=O)(=O)Cc1ccc(cc1)C#N)C2(CCCCC2)c3cscc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CS(=O)(=O)NC(=O)C2(CCCCC2)c3ccsc3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CS(=O)(=O)NC(=O)C2(CCCCC2)c3ccsc3)C#N |
