WQH
Summary
| Name: | 5-[(4-methyl-3-phenoxyphenyl)methyl]-1H-tetrazole |
| Formula: | C15 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 266.298 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(4-methyl-3-phenoxyphenyl)methyl]-1H-tetrazole |
| OpenEye OEToolkits | 2.0.7 | 5-[(4-methyl-3-phenoxy-phenyl)methyl]-1~{H}-1,2,3,4-tetrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccc(cc1Oc1ccccc1)Cc1nnn[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C15H14N4O/c1-11-7-8-12(10-15-16-18-19-17-15)9-14(11)20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,16,17,18,19) |
| InChIKey | InChI | 1.06 | VNKDKYCIFGXJHT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(Cc2[nH]nnn2)cc1Oc3ccccc3 |
| SMILES | CACTVS | 3.385 | Cc1ccc(Cc2[nH]nnn2)cc1Oc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1Oc2ccccc2)Cc3[nH]nnn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1Oc2ccccc2)Cc3[nH]nnn3 |
