Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H17F3N4O2S/c1-19(2)17(28)27(13-5-7-14(8-6-13)30-20(21,22)23)18(29)26(19)11-12-10-25-16-15(12)4-3-9-24-16/h3-10H,11H2,1-2H3,(H,24,25) |
InChIKey | InChI | 1.06 | RLTCQGGOKJNJBI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)N(Cc2c[nH]c3ncccc23)C(=O)N(C1=O)c4ccc(SC(F)(F)F)cc4 |
SMILES | CACTVS | 3.385 | CC1(C)N(Cc2c[nH]c3ncccc23)C(=O)N(C1=O)c4ccc(SC(F)(F)F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(C(=O)N(C(=O)N1Cc2c[nH]c3c2cccn3)c4ccc(cc4)SC(F)(F)F)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C(=O)N(C(=O)N1Cc2c[nH]c3c2cccn3)c4ccc(cc4)SC(F)(F)F)C |