Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H16F3N3S/c20-19(21,22)17-9-15(7-8-23-17)24-10-16-11-25-18(26-16)14-5-3-13(4-6-14)12-1-2-12/h3-9,11-12H,1-2,10H2,(H,23,24) |
InChIKey | InChI | 1.06 | MNFFCZFIFAZOEV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cc(NCc2sc(nc2)c3ccc(cc3)C4CC4)ccn1 |
SMILES | CACTVS | 3.385 | FC(F)(F)c1cc(NCc2sc(nc2)c3ccc(cc3)C4CC4)ccn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ncc(s2)CNc3ccnc(c3)C(F)(F)F)C4CC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2ncc(s2)CNc3ccnc(c3)C(F)(F)F)C4CC4 |