Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc3cccc(c1nc(sc1)Nc2c(O)ccc(F)c2)c3 |
InChI | InChI | 1.03 | InChI=1S/C16H10FN3OS/c17-12-4-5-15(21)13(7-12)19-16-20-14(9-22-16)11-3-1-2-10(6-11)8-18/h1-7,9,21H,(H,19,20) |
InChIKey | InChI | 1.03 | WLSORBAAVBPTGJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(F)cc1Nc2scc(n2)c3cccc(c3)C#N |
SMILES | CACTVS | 3.370 | Oc1ccc(F)cc1Nc2scc(n2)c3cccc(c3)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)c2csc(n2)Nc3cc(ccc3O)F)C#N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)c2csc(n2)Nc3cc(ccc3O)F)C#N |