| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | S=C2N(c1ccccc1N2CCSc4nc3ccccc3n4)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=S)N(CCSc2[nH]c3ccccc3n2)c4ccccc14 |
| SMILES | CACTVS | 3.370 | CN1C(=S)N(CCSc2[nH]c3ccccc3n2)c4ccccc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN1c2ccccc2N(C1=S)CCSc3[nH]c4ccccc4n3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN1c2ccccc2N(C1=S)CCSc3[nH]c4ccccc4n3 |
| InChI | InChI | 1.03 | InChI=1S/C17H16N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | KDPSGIFCBZTBEZ-UHFFFAOYSA-N |
