NL5
Summary
| Name: | 4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole |
| Formula: | C14 H19 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 309.384 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-(phenylsulfonyl)ethyl]-5-(propan-2-yloxymethyl)-1~{H}-1,2,3-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H19N3O3S/c1-11(2)20-10-14-13(15-17-16-14)8-9-21(18,19)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,16,17) |
| InChIKey | InChI | 1.03 | QGLCFUDQEUYWSD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)OCc1[nH]nnc1CC[S](=O)(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(C)OCc1[nH]nnc1CC[S](=O)(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)OCc1c(nn[nH]1)CCS(=O)(=O)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)OCc1c(nn[nH]1)CCS(=O)(=O)c2ccccc2 |
