| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccccc1)CSc3nc2c(N=C(N)NC2=O)n3 |
| InChI | InChI | 1.03 | InChI=1S/C13H11N5O2S/c14-12-16-10-9(11(20)18-12)15-13(17-10)21-6-8(19)7-4-2-1-3-5-7/h1-5H,6H2,(H4,14,15,16,17,18,20) |
| InChIKey | InChI | 1.03 | NKOHKWPHYBOMJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2[nH]c(SCC(=O)c3ccccc3)nc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=Nc2[nH]c(SCC(=O)c3ccccc3)nc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N |
