A1JJK
Summary
| Name: | 2-ethylsulfanyl-~{N}-[1-[(4-fluorophenyl)methyl]indazol-3-yl]ethanamide |
| Formula: | C18 H18 F N3 O S |
| Formal charge: | 0 |
| Formula weight: | 343.418 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-ethylsulfanyl-~{N}-[1-[(4-fluorophenyl)methyl]indazol-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H18FN3OS/c1-2-24-12-17(23)20-18-15-5-3-4-6-16(15)22(21-18)11-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,21,23) |
| InChIKey | InChI | 1.06 | NOBRUCRPWOWGNN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCSCC(=O)Nc1nn(Cc2ccc(F)cc2)c3ccccc13 |
| SMILES | CACTVS | 3.385 | CCSCC(=O)Nc1nn(Cc2ccc(F)cc2)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCSCC(=O)Nc1c2ccccc2n(n1)Cc3ccc(cc3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCSCC(=O)Nc1c2ccccc2n(n1)Cc3ccc(cc3)F |
