GRZ
Summary
| Name: | 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide |
| Formula: | C15 H10 Cl F N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 348.716 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H10ClFN4O3/c16-9-1-6-14(24-11-4-2-10(17)3-5-11)13(7-9)21-8-12(18-20-21)15(22)19-23/h1-8,23H,(H,19,22) |
| InChIKey | InChI | 1.03 | NXLUFTCWMNFMML-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1cn(nn1)c2cc(Cl)ccc2Oc3ccc(F)cc3 |
| SMILES | CACTVS | 3.385 | ONC(=O)c1cn(nn1)c2cc(Cl)ccc2Oc3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F |
