Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc3cc(Nc1nc(c(s1)C(=O)c2ccccc2)N)ccc3 |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc(Nc2cccc(F)c2)sc1C(=O)c3ccccc3 |
SMILES | CACTVS | 3.370 | Nc1nc(Nc2cccc(F)c2)sc1C(=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)F)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C(=O)c2c(nc(s2)Nc3cccc(c3)F)N |
InChI | InChI | 1.03 | InChI=1S/C16H12FN3OS/c17-11-7-4-8-12(9-11)19-16-20-15(18)14(22-16)13(21)10-5-2-1-3-6-10/h1-9H,18H2,(H,19,20) |
InChIKey | InChI | 1.03 | CGDCHWZCEONCMK-UHFFFAOYSA-N |