| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(NC3COCC3Oc2ccc(c1sc(C#N)cc1)cc2)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C18H20N2O4S2/c1-12(2)26(21,22)20-16-10-23-11-17(16)24-14-5-3-13(4-6-14)18-8-7-15(9-19)25-18/h3-8,12,16-17,20H,10-11H2,1-2H3/t16-,17+/m0/s1 |
| InChIKey | InChI | 1.03 | TTYKUKSFWHEBLI-DLBZAZTESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[S](=O)(=O)N[C@H]1COC[C@H]1Oc2ccc(cc2)c3sc(cc3)C#N |
| SMILES | CACTVS | 3.385 | CC(C)[S](=O)(=O)N[CH]1COC[CH]1Oc2ccc(cc2)c3sc(cc3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)S(=O)(=O)N[C@H]1COC[C@H]1Oc2ccc(cc2)c3ccc(s3)C#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)S(=O)(=O)NC1COCC1Oc2ccc(cc2)c3ccc(s3)C#N |
