Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H15F3N4O2S/c1-11-17(27)26(13-2-4-14(5-3-13)29-19(20,21)22)18(28)25(11)10-12-6-8-23-16-15(12)7-9-24-16/h2-9,11H,10H2,1H3,(H,23,24)/t11-/m0/s1 |
InChIKey | InChI | 1.06 | PTCXQJSTTBRBJQ-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1N(Cc2ccnc3[nH]ccc23)C(=O)N(C1=O)c4ccc(SC(F)(F)F)cc4 |
SMILES | CACTVS | 3.385 | C[CH]1N(Cc2ccnc3[nH]ccc23)C(=O)N(C1=O)c4ccc(SC(F)(F)F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1C(=O)N(C(=O)N1Cc2ccnc3c2cc[nH]3)c4ccc(cc4)SC(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(=O)N(C(=O)N1Cc2ccnc3c2cc[nH]3)c4ccc(cc4)SC(F)(F)F |