Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H17ClF3N3OS/c1-11(2)27-16-4-3-12(7-15(16)20)18-26-10-14(28-18)9-25-13-5-6-24-17(8-13)19(21,22)23/h3-8,10-11H,9H2,1-2H3,(H,24,25) |
InChIKey | InChI | 1.06 | GQVXDNRONWTUJQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1ccc(cc1Cl)c2sc(CNc3ccnc(c3)C(F)(F)F)cn2 |
SMILES | CACTVS | 3.385 | CC(C)Oc1ccc(cc1Cl)c2sc(CNc3ccnc(c3)C(F)(F)F)cn2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc(cc1Cl)c2ncc(s2)CNc3ccnc(c3)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc(cc1Cl)c2ncc(s2)CNc3ccnc(c3)C(F)(F)F |