KWD
Summary
| Name: | 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide |
| Formula: | C12 H7 Cl2 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 312.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H7Cl2N3OS/c13-8-2-1-7(5-9(8)14)10-6-19-12(16-10)17-11(18)3-4-15/h1-2,5-6H,3H2,(H,16,17,18) |
| InChIKey | InChI | 1.03 | UVZNRMKUEHJMJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(cc1Cl)c2csc(NC(=O)CC#N)n2 |
| SMILES | CACTVS | 3.385 | Clc1ccc(cc1Cl)c2csc(NC(=O)CC#N)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1c2csc(n2)NC(=O)CC#N)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1c2csc(n2)NC(=O)CC#N)Cl)Cl |
