9VT
Summary
| Name: | 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine |
| Formula: | C10 H15 N5 S |
| Formal charge: | 0 |
| Formula weight: | 237.325 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-[(3,5-dimethylpyrazol-1-yl)methyl]-~{N}-ethyl-1,3,4-thiadiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H15N5S/c1-4-11-10-13-12-9(16-10)6-15-8(3)5-7(2)14-15/h5H,4,6H2,1-3H3,(H,11,13) |
| InChIKey | InChI | 1.03 | OGQQDXKQAWKFFF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNc1sc(Cn2nc(C)cc2C)nn1 |
| SMILES | CACTVS | 3.385 | CCNc1sc(Cn2nc(C)cc2C)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCNc1nnc(s1)Cn2c(cc(n2)C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCNc1nnc(s1)Cn2c(cc(n2)C)C |
