A1ETA
Summary
| Name: | ~{N}-(4-ethylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide |
| Formula: | C19 H21 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 367.468 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(4-ethylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H21N5OS/c1-3-14-7-9-16(10-8-14)21-17(25)13-26-19-23-22-18(24(19)4-2)15-6-5-11-20-12-15/h5-12H,3-4,13H2,1-2H3,(H,21,25) |
| InChIKey | InChI | 1.06 | UWCCKVJVOHTHAF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1c3cccnc3 |
| SMILES | CACTVS | 3.385 | CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1ccc(cc1)NC(=O)CSc2nnc(n2CC)c3cccnc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1ccc(cc1)NC(=O)CSc2nnc(n2CC)c3cccnc3 |
