FTZ
Summary
| Name: | N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine |
| Formula: | C13 H10 Cl F N4 O |
| Formal charge: | 0 |
| Formula weight: | 292.696 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-chloro-6-fluorobenzyl)-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine |
| OpenEye OEToolkits | 1.7.6 | N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1cccc(Cl)c1CNc2nc(nn2)c3occc3 |
| InChI | InChI | 1.03 | InChI=1S/C13H10ClFN4O/c14-9-3-1-4-10(15)8(9)7-16-13-17-12(18-19-13)11-5-2-6-20-11/h1-6H,7H2,(H2,16,17,18,19) |
| InChIKey | InChI | 1.03 | AHOHWELPUXLPOF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(Cl)c1CNc2[nH]nc(n2)c3occc3 |
| SMILES | CACTVS | 3.385 | Fc1cccc(Cl)c1CNc2[nH]nc(n2)c3occc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)Cl)CNc2[nH]nc(n2)c3ccco3)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)Cl)CNc2[nH]nc(n2)c3ccco3)F |
