Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1N=C(SC1(C)C(F)(F)F)NC(c2ccccc2F)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)c2ccccc2F |
SMILES | CACTVS | 3.341 | C[CH](NC1=NC(=O)[C](C)(S1)C(F)(F)F)c2ccccc2F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](c1ccccc1F)NC2=NC(=O)[C@@](S2)(C)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(c1ccccc1F)NC2=NC(=O)C(S2)(C)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C13H12F4N2OS/c1-7(8-5-3-4-6-9(8)14)18-11-19-10(20)12(2,21-11)13(15,16)17/h3-7H,1-2H3,(H,18,19,20)/t7-,12-/m0/s1 |
InChIKey | InChI | 1.03 | KNHNFKZUNFPPQE-MADCSZMMSA-N |