| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cccc(c1)S(Nc2ccc(C)c3c(cnc23)C#N)(=O)=O)C#N |
| InChI | InChI | 1.03 | InChI=1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3 |
| InChIKey | InChI | 1.03 | LWGUASZLXHYWIV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(N[S](=O)(=O)c2cccc(c2)C#N)c3[nH]cc(C#N)c13 |
| SMILES | CACTVS | 3.385 | Cc1ccc(N[S](=O)(=O)c2cccc(c2)C#N)c3[nH]cc(C#N)c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3cccc(c3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=O)c3cccc(c3)C#N |
