| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N#Cc1ccc(cc1)CSc3nc2c(N=C(N)NC2=O)n3 |
| InChI | InChI | 1.03 | InChI=1S/C13H10N6OS/c14-5-7-1-3-8(4-2-7)6-21-13-16-9-10(18-13)17-12(15)19-11(9)20/h1-4H,6H2,(H4,15,16,17,18,19,20) |
| InChIKey | InChI | 1.03 | GWZOSZRSFBULCC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2[nH]c(SCc3ccc(cc3)C#N)nc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=Nc2[nH]c(SCc3ccc(cc3)C#N)nc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)C#N |
