A1H7I
Summary
| Name: | ~{N}'-[2,2-bis(fluoranyl)ethanoyl]-5-[(4-~{tert}-butyl-1,2,3-triazol-1-yl)methyl]thiophene-2-carbohydrazide |
| Formula: | C14 H17 F2 N5 O2 S |
| Formal charge: | 0 |
| Formula weight: | 357.379 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}'-[2,2-bis(fluoranyl)ethanoyl]-5-[(4-~{tert}-butyl-1,2,3-triazol-1-yl)methyl]thiophene-2-carbohydrazide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H17F2N5O2S/c1-14(2,3)10-7-21(20-17-10)6-8-4-5-9(24-8)12(22)18-19-13(23)11(15)16/h4-5,7,11H,6H2,1-3H3,(H,18,22)(H,19,23) |
| InChIKey | InChI | 1.06 | WHYQSTYKVOXDDY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1cn(Cc2sc(cc2)C(=O)NNC(=O)C(F)F)nn1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1cn(Cc2sc(cc2)C(=O)NNC(=O)C(F)F)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1cn(nn1)Cc2ccc(s2)C(=O)NNC(=O)C(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1cn(nn1)Cc2ccc(s2)C(=O)NNC(=O)C(F)F |
