WKL
Summary
| Name: | N-(2-aminoethyl)-N-(cyanomethyl)thiophene-2-carboxamide |
| Formula: | C9 H11 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 209.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-aminoethyl)-N-(cyanomethyl)thiophene-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-azanylethyl)-~{N}-(cyanomethyl)thiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N(CCN)CC#N)c1cccs1 |
| InChI | InChI | 1.06 | InChI=1S/C9H11N3OS/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,3,5-6,10H2 |
| InChIKey | InChI | 1.06 | XDHJNESZDIBWEM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCN(CC#N)C(=O)c1sccc1 |
| SMILES | CACTVS | 3.385 | NCCN(CC#N)C(=O)c1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C(=O)N(CCN)CC#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C(=O)N(CCN)CC#N |
