A1AHQ
Summary
| Name: | 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-1,6-dihydropyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide |
| Formula: | C14 H7 F6 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 395.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-1,6-dihydropyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[1-[2,2-bis(fluoranyl)ethyl]-5-fluoranyl-6-oxidanylidene-pyridin-3-yl]-4-cyano-5-(trifluoromethyl)thiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1cc(sc1C(F)(F)F)C(=O)NC=1C=C(F)C(=O)N(CC(F)F)C=1 |
| InChI | InChI | 1.06 | InChI=1S/C14H7F6N3O2S/c15-8-2-7(4-23(13(8)25)5-10(16)17)22-12(24)9-1-6(3-21)11(26-9)14(18,19)20/h1-2,4,10H,5H2,(H,22,24) |
| InChIKey | InChI | 1.06 | BBVUKPZENMWLFA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)CN1C=C(NC(=O)c2sc(c(c2)C#N)C(F)(F)F)C=C(F)C1=O |
| SMILES | CACTVS | 3.385 | FC(F)CN1C=C(NC(=O)c2sc(c(c2)C#N)C(F)(F)F)C=C(F)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c(sc1C(=O)NC2=CN(C(=O)C(=C2)F)CC(F)F)C(F)(F)F)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(sc1C(=O)NC2=CN(C(=O)C(=C2)F)CC(F)F)C(F)(F)F)C#N |
