T1T
Summary
| Name: | 7-(3-(trifluoromethyl)-1H-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide |
| Formula: | C17 H12 F3 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 391.37 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H12F3N5OS/c18-17(19,20)16-10(6-22-25-16)15-11-7-27(26)4-3-8(11)14-9-5-21-24-12(9)1-2-13(14)23-15/h1-2,5-6H,3-4,7H2,(H,21,24)(H,22,25)/t27-/m1/s1 |
| InChIKey | InChI | 1.03 | UGLMDRPTTBWXIB-HHHXNRCGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1[nH]ncc1c2nc3ccc4[nH]ncc4c3c5CC[S@@](=O)Cc25 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1[nH]ncc1c2nc3ccc4[nH]ncc4c3c5CC[S](=O)Cc25 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c3c1[nH]nc3)c4c(c(n2)c5cn[nH]c5C(F)(F)F)CS(=O)CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c3c1[nH]nc3)c4c(c(n2)c5cn[nH]c5C(F)(F)F)CS(=O)CC4 |
