| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c3sc(C1=CN=C2C1=CC=CN2)cc3)NCCN |
| InChI | InChI | 1.03 | InChI=1S/C13H14N4O2S2/c14-5-7-17-21(18,19)12-4-3-11(20-12)10-8-16-13-9(10)2-1-6-15-13/h1-4,6,8,17H,5,7,14H2,(H,15,16) |
| InChIKey | InChI | 1.03 | ODZMLPDPZFTGIU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCN[S](=O)(=O)c1sc(cc1)c2cnc3[nH]cccc23 |
| SMILES | CACTVS | 3.385 | NCCN[S](=O)(=O)c1sc(cc1)c2cnc3[nH]cccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc-2c(cnc2[nH]c1)c3ccc(s3)S(=O)(=O)NCCN |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc-2c(cnc2[nH]c1)c3ccc(s3)S(=O)(=O)NCCN |
