| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Fc1cccc(c1)CCNCc2cc(ccc2)NC(=[N@H])c3sccc3 |
| InChI | InChI | 1.03 | InChI=1S/C20H20FN3S/c21-17-6-1-4-15(12-17)9-10-23-14-16-5-2-7-18(13-16)24-20(22)19-8-3-11-25-19/h1-8,11-13,23H,9-10,14H2,(H2,22,24) |
| InChIKey | InChI | 1.03 | QJSHZJYEBIUVCD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Fc1cccc(CCNCc2cccc(NC(=N)c3sccc3)c2)c1 |
| SMILES | CACTVS | 3.370 | Fc1cccc(CCNCc2cccc(NC(=N)c3sccc3)c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\c1cccs1)/Nc2cccc(c2)CNCCc3cccc(c3)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)F)CCNCc2cccc(c2)NC(=N)c3cccs3 |
