UGV
Summary
| Name: | 2-(5-chlorothiophen-2-yl)-N-(pyridin-3-yl)acetamide |
| Formula: | C11 H9 Cl N2 O S |
| Formal charge: | 0 |
| Formula weight: | 252.72 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(5-chlorothiophen-2-yl)-N-(pyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(5-chloranylthiophen-2-yl)-~{N}-pyridin-3-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2cccc(NC(Cc1ccc(s1)Cl)=O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C11H9ClN2OS/c12-10-4-3-9(16-10)6-11(15)14-8-2-1-5-13-7-8/h1-5,7H,6H2,(H,14,15) |
| InChIKey | InChI | 1.03 | VLAXFSPPTLAYDD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1sc(CC(=O)Nc2cccnc2)cc1 |
| SMILES | CACTVS | 3.385 | Clc1sc(CC(=O)Nc2cccnc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)NC(=O)Cc2ccc(s2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)NC(=O)Cc2ccc(s2)Cl |
