ULB
Summary
| Name: | 3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole |
| Formula: | C16 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 265.31 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H15N3O/c1-12-17-16(19-18-12)14-9-5-6-10-15(14)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18,19) |
| InChIKey | InChI | 1.03 | NPTNHLPXAAOUPO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3 |
| SMILES | CACTVS | 3.385 | Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3 |
