| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2N(Cc1ccccc1)C(SC2)c4ccc3nncc3c4 |
| InChI | InChI | 1.03 | InChI=1S/C17H15N3OS/c21-16-11-22-17(20(16)10-12-4-2-1-3-5-12)13-6-7-15-14(8-13)9-18-19-15/h1-9,17H,10-11H2,(H,18,19)/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | UIFSOMZAJQOGHJ-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CS[C@@H](N1Cc2ccccc2)c3ccc4[nH]ncc4c3 |
| SMILES | CACTVS | 3.385 | O=C1CS[CH](N1Cc2ccccc2)c3ccc4[nH]ncc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CN2[C@H](SCC2=O)c3ccc4c(c3)cn[nH]4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CN2C(SCC2=O)c3ccc4c(c3)cn[nH]4 |
