WC6
Summary
| Name: | 1-(3-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one |
| Formula: | C10 H8 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 205.188 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-(3-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Cn1cncn1)c1cccc(F)c1 |
| InChI | InChI | 1.06 | InChI=1S/C10H8FN3O/c11-9-3-1-2-8(4-9)10(15)5-14-7-12-6-13-14/h1-4,6-7H,5H2 |
| InChIKey | InChI | 1.06 | NXZHGODCACTDHZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(c1)C(=O)Cn2cncn2 |
| SMILES | CACTVS | 3.385 | Fc1cccc(c1)C(=O)Cn2cncn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)C(=O)Cn2cncn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)C(=O)Cn2cncn2 |
