VV5
Summary
| Name: | N-[2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide |
| Formula: | C12 H12 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 232.301 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-thiophen-2-ylethyl)pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCc1cccs1)c1cccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H12N2OS/c15-12(10-3-1-6-13-9-10)14-7-5-11-4-2-8-16-11/h1-4,6,8-9H,5,7H2,(H,14,15) |
| InChIKey | InChI | 1.06 | VMWNPRLDFTXJRJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCc1sccc1)c2cccnc2 |
| SMILES | CACTVS | 3.385 | O=C(NCCc1sccc1)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)C(=O)NCCc2cccs2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)C(=O)NCCc2cccs2 |
