| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)(C)C(=O)CSc1nc2c(CCc3ncccc32)cn1 |
| InChI | InChI | 1.03 | InChI=1S/C17H19N3OS/c1-17(2,3)14(21)10-22-16-19-9-11-6-7-13-12(15(11)20-16)5-4-8-18-13/h4-5,8-9H,6-7,10H2,1-3H3 |
| InChIKey | InChI | 1.03 | DIKYWZUDUGEQDD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C(=O)CSc1ncc2CCc3ncccc3c2n1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)C(=O)CSc1ncc2CCc3ncccc3c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)CSc1ncc2c(n1)-c3cccnc3CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(=O)CSc1ncc2c(n1)-c3cccnc3CC2 |
