Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)Cn2c1ccccc1c(c2)Cc3nc4c(F)c(F)cc(F)c4s3 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)Cn1cc(Cc2sc3c(F)cc(F)c(F)c3n2)c4ccccc14 |
SMILES | CACTVS | 3.341 | OC(=O)Cn1cc(Cc2sc3c(F)cc(F)c(F)c3n2)c4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(cn2CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(cn2CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F |
InChI | InChI | 1.03 | InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25) |
InChIKey | InChI | 1.03 | KYHVTMFADJNSGS-UHFFFAOYSA-N |