8S4
Summary
| Name: | 1-[(4-methoxyphenyl)methyl]-1H-tetrazole |
| Formula: | C9 H10 N4 O |
| Formal charge: | 0 |
| Formula weight: | 190.202 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(4-methoxyphenyl)methyl]-1H-tetrazole |
| OpenEye OEToolkits | 2.0.6 | 1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2(Cc1ccc(OC)cc1)cnnn2 |
| InChI | InChI | 1.03 | InChI=1S/C9H10N4O/c1-14-9-4-2-8(3-5-9)6-13-7-10-11-12-13/h2-5,7H,6H2,1H3 |
| InChIKey | InChI | 1.03 | ODJQFWLXWRQLSQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cn2cnnn2)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(Cn2cnnn2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)Cn2cnnn2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)Cn2cnnn2 |
