1SI
Summary
| Name: | 3-fluoranyl-~{N}-[(~{E})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide |
| Formula: | C17 H12 F N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 341.359 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-fluoranyl-~{N}-[(~{E})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H12FN3O2S/c18-13-5-3-4-12(10-13)17(22)21-20-11-14-7-8-16(23-14)24-15-6-1-2-9-19-15/h1-11H,(H,21,22)/b20-11+ |
| InChIKey | InChI | 1.03 | VDKNIVFIPSLUFD-RGVLZGJSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(c1)C(=O)N/N=C/c2oc(Sc3ccccn3)cc2 |
| SMILES | CACTVS | 3.385 | Fc1cccc(c1)C(=O)NN=Cc2oc(Sc3ccccn3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)Sc2ccc(o2)/C=N/NC(=O)c3cccc(c3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)Sc2ccc(o2)C=NNC(=O)c3cccc(c3)F |
