WIK
Summary
| Name: | (5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole |
| Formula: | C14 H12 N4 |
| Formal charge: | 0 |
| Formula weight: | 236.272 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5P)-5-(4'-methyl[1,1'-biphenyl]-2-yl)-1H-tetrazole |
| OpenEye OEToolkits | 2.0.7 | 5-[2-(4-methylphenyl)phenyl]-1~{H}-1,2,3,4-tetrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccc(cc1)c1ccccc1c1nnn[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C14H12N4/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14-15-17-18-16-14/h2-9H,1H3,(H,15,16,17,18) |
| InChIKey | InChI | 1.06 | VWOJMXKARYCRCC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)c2ccccc2c3[nH]nnn3 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)c2ccccc2c3[nH]nnn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)c2ccccc2c3[nH]nnn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)c2ccccc2c3[nH]nnn3 |
