| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c3c(c2c(C(O)=O)sc(CCCc1ccccc1)n2)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C19H17NO2S/c21-19(22)18-17(15-11-5-2-6-12-15)20-16(23-18)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2,(H,21,22) |
| InChIKey | InChI | 1.03 | WWFYLUZIXCVYBZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1sc(CCCc2ccccc2)nc1c3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1sc(CCCc2ccccc2)nc1c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCc2nc(c(s2)C(=O)O)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCc2nc(c(s2)C(=O)O)c3ccccc3 |
