| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(N1CCCCS\C1=N/c1ccccc1)c1cccc(Br)c1 |
| InChI | InChI | 1.06 | InChI=1S/C18H17BrN2OS/c19-15-8-6-7-14(13-15)17(22)21-11-4-5-12-23-18(21)20-16-9-2-1-3-10-16/h1-3,6-10,13H,4-5,11-12H2/b20-18- |
| InChIKey | InChI | 1.06 | PHGWIHJDMHTLMX-ZZEZOPTASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1cccc(c1)C(=O)N2CCCCSC2=Nc3ccccc3 |
| SMILES | CACTVS | 3.385 | Brc1cccc(c1)C(=O)N2CCCCSC2=Nc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)/N=C\2/N(CCCCS2)C(=O)c3cccc(c3)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N=C2N(CCCCS2)C(=O)c3cccc(c3)Br |
