GGN
Summary
Name: | 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
Formula: | C21 H20 F3 N3 O S |
Formal charge: | 0 |
Formula weight: | 419.463 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H20F3N3OS/c1-2-3-17-12-16(8-10-25-17)20-27-18(13-29-20)14-4-6-15(7-5-14)19(28)26-11-9-21(22,23)24/h4-8,10,12-13H,2-3,9,11H2,1H3,(H,26,28) |
InChIKey | InChI | 1.03 | QQMRZMWCFAMSQQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCc1cc(ccn1)c2scc(n2)c3ccc(cc3)C(=O)NCCC(F)(F)F |
SMILES | CACTVS | 3.385 | CCCc1cc(ccn1)c2scc(n2)c3ccc(cc3)C(=O)NCCC(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCc1cc(ccn1)c2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCc1cc(ccn1)c2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F |