Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#CC=[C@H]c4cc(C)c(Oc2c1sccc1nc(n2)Nc3cc(F)c(C#N)cc3)c(c4)C |
InChI | InChI | 1.03 | InChI=1S/C24H16FN5OS/c1-14-10-16(4-3-8-26)11-15(2)21(14)31-23-22-20(7-9-32-22)29-24(30-23)28-18-6-5-17(13-27)19(25)12-18/h3-7,9-12H,1-2H3,(H,28,29,30)/b4-3+ |
InChIKey | InChI | 1.03 | WJBQILBCHRFMQR-ONEGZZNKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(/C=C/C#N)cc(C)c1Oc2nc(Nc3ccc(C#N)c(F)c3)nc4ccsc24 |
SMILES | CACTVS | 3.385 | Cc1cc(C=CC#N)cc(C)c1Oc2nc(Nc3ccc(C#N)c(F)c3)nc4ccsc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)Nc4ccc(c(c4)F)C#N)C)/C=C/C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)Nc4ccc(c(c4)F)C#N)C)C=CC#N |