| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | NS(N)(O)C1(CC1)c1cc(nc(SC)n1)N1CCOCC1C |
| InChI | InChI | 1.03 | InChI=1S/C13H20N5O2S2/c1-9-8-20-6-5-18(9)11-7-10(16-12(17-11)21-2)13(3-4-13)22(14,15)19/h7,9,14-15H,3-6,8H2,1-2H3/q+1/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | IBTBNJWCWMILQN-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1nc(cc(n1)C2(CC2)[S+](=N)(=N)=O)N3CCOC[C@H]3C |
| SMILES | CACTVS | 3.385 | CSc1nc(cc(n1)C2(CC2)[S+](=N)(=N)=O)N3CCOC[CH]3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1COCCN1c2cc(nc(n2)SC)C3(CC3)[S+](=N)(=N)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1COCCN1c2cc(nc(n2)SC)C3(CC3)[S+](=N)(=N)=O |
