B0Y
Summary
| Name: | 5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide |
| Formula: | C12 H15 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 249.332 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H15N3OS/c1-3-10-4-5-11(17-10)12(16)13-6-9-7-14-15(2)8-9/h4-5,7-8H,3,6H2,1-2H3,(H,13,16) |
| InChIKey | InChI | 1.03 | IMEUOMKMOTYOQB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1sc(cc1)C(=O)NCc2cnn(C)c2 |
| SMILES | CACTVS | 3.385 | CCc1sc(cc1)C(=O)NCc2cnn(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1ccc(s1)C(=O)NCc2cnn(c2)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1ccc(s1)C(=O)NCc2cnn(c2)C |
