| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C2C=C(OCCc1sccc1)C=CN2Cc3cccc(N)c3C |
| InChI | InChI | 1.03 | InChI=1S/C19H20N2O2S/c1-14-15(4-2-6-18(14)20)13-21-9-7-16(12-19(21)22)23-10-8-17-5-3-11-24-17/h2-7,9,11-12H,8,10,13,20H2,1H3 |
| InChIKey | InChI | 1.03 | YCLREGRRHGLOAK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(N)cccc1CN2C=CC(=CC2=O)OCCc3sccc3 |
| SMILES | CACTVS | 3.385 | Cc1c(N)cccc1CN2C=CC(=CC2=O)OCCc3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3 |
