VRY
Summary
| Name: | 1-[(2-chloro-4-methoxyphenyl)methyl]-1H-1,2,4-triazole |
| Formula: | C10 H10 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 223.659 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(2-chloro-4-methoxyphenyl)methyl]-1H-1,2,4-triazole |
| OpenEye OEToolkits | 2.0.7 | 1-[(2-chloranyl-4-methoxy-phenyl)methyl]-1,2,4-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1cc(Cl)c(Cn2cncn2)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H10ClN3O/c1-15-9-3-2-8(10(11)4-9)5-14-7-12-6-13-14/h2-4,6-7H,5H2,1H3 |
| InChIKey | InChI | 1.06 | PFSTZWZOSJGLKK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cn2cncn2)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | COc1ccc(Cn2cncn2)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(c(c1)Cl)Cn2cncn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(c(c1)Cl)Cn2cncn2 |
