| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc2c1c(nc(nc1nc2)SC)c3ccc(cc3C)C |
| InChI | InChI | 1.03 | InChI=1S/C16H14N4S/c1-9-4-5-12(10(2)6-9)14-13-11(7-17)8-18-15(13)20-16(19-14)21-3/h4-6,8H,1-3H3,(H,18,19,20) |
| InChIKey | InChI | 1.03 | LXUVFEGNZXPXCA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CSc1nc2[nH]cc(C#N)c2c(n1)c3ccc(C)cc3C |
| SMILES | CACTVS | 3.370 | CSc1nc2[nH]cc(C#N)c2c(n1)c3ccc(C)cc3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(c(c1)C)c2c3c(c[nH]c3nc(n2)SC)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(c(c1)C)c2c3c(c[nH]c3nc(n2)SC)C#N |
