Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1cc(S(=O)[C@H]=[C@H]CC\N=C/S)cc(c1)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C13H11F6NOS2/c14-12(15,16)9-5-10(13(17,18)19)7-11(6-9)23(21)4-2-1-3-20-8-22/h2,4-8H,1,3H2,(H,20,22)/b4-2+/t23-/m1/s1 |
InChIKey | InChI | 1.03 | LCTALRIGMZILGK-KFVKGYIZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cc(cc(c1)C(F)(F)F)[S@](=O)/C=C/CCN=CS |
SMILES | CACTVS | 3.385 | FC(F)(F)c1cc(cc(c1)C(F)(F)F)[S](=O)C=CCCN=CS |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cc(cc1C(F)(F)F)S(=O)/C=C/CC/N=C\S)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cc(cc1C(F)(F)F)S(=O)C=CCCN=CS)C(F)(F)F |