| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1(cc2c(cc1)nc(c2C)C#N)NS(CCCCC)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H19N3O2S/c1-3-4-5-8-21(19,20)18-12-6-7-14-13(9-12)11(2)15(10-16)17-14/h6-7,9,17-18H,3-5,8H2,1-2H3 |
| InChIKey | InChI | 1.03 | YSEFPNYCRCSWGW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[S](=O)(=O)Nc1ccc2[nH]c(C#N)c(C)c2c1 |
| SMILES | CACTVS | 3.385 | CCCCC[S](=O)(=O)Nc1ccc2[nH]c(C#N)c(C)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C |
