Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1cccc(c1)C(=O)c2sc(nc2N)Nc3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc(Nc2ccccc2)sc1C(=O)c3cccc(c3)C(F)(F)F |
SMILES | CACTVS | 3.370 | Nc1nc(Nc2ccccc2)sc1C(=O)c3cccc(c3)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccc(c3)C(F)(F)F)N |
SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)Nc2nc(c(s2)C(=O)c3cccc(c3)C(F)(F)F)N |
InChI | InChI | 1.03 | InChI=1S/C17H12F3N3OS/c18-17(19,20)11-6-4-5-10(9-11)13(24)14-15(21)23-16(25-14)22-12-7-2-1-3-8-12/h1-9H,21H2,(H,22,23) |
InChIKey | InChI | 1.03 | DMSXJUBZGKCYAA-UHFFFAOYSA-N |