A1BRU
Summary
| Name: | 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-indazole-3-carboxamide |
| Formula: | C14 H14 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 286.352 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1H-indazole-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 1-methyl-~{N}-[2-(1,3-thiazol-4-yl)ethyl]indazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cn1nc(C(=O)NCCc2cscn2)c2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C14H14N4OS/c1-18-12-5-3-2-4-11(12)13(17-18)14(19)15-7-6-10-8-20-9-16-10/h2-5,8-9H,6-7H2,1H3,(H,15,19) |
| InChIKey | InChI | 1.06 | WLVBXUMLICFSSW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C(=O)NCCc2cscn2)c3ccccc13 |
| SMILES | CACTVS | 3.385 | Cn1nc(C(=O)NCCc2cscn2)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1c2ccccc2c(n1)C(=O)NCCc3cscn3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1c2ccccc2c(n1)C(=O)NCCc3cscn3 |
