| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(c2nc1ccccc1n2)Cc3nccc(OCCCOC)c3C |
| SMILES_CANONICAL | CACTVS | 3.370 | COCCCOc1ccnc(C[S@@](=O)c2[nH]c3ccccc3n2)c1C |
| SMILES | CACTVS | 3.370 | COCCCOc1ccnc(C[S](=O)c2[nH]c3ccccc3n2)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCCCOC |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)OCCCOC |
| InChI | InChI | 1.03 | InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1 |
| InChIKey | InChI | 1.03 | YREYEVIYCVEVJK-RUZDIDTESA-N |
