SZA
Summary
| Name: | ~{N}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide |
| Formula: | C12 H12 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 232.301 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12N2OS/c15-12(10-3-6-13-7-4-10)14-8-5-11-2-1-9-16-11/h1-4,6-7,9H,5,8H2,(H,14,15) |
| InChIKey | InChI | 1.03 | MBRRKSONRBUYSE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCc1sccc1)c2ccncc2 |
| SMILES | CACTVS | 3.385 | O=C(NCCc1sccc1)c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(sc1)CCNC(=O)c2ccncc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(sc1)CCNC(=O)c2ccncc2 |
