ZV2
Summary
Name: | 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide |
Formula: | C11 H11 F N3 O S |
Formal charge: | 0 |
Formula weight: | 252.288 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C11H11FN3OS/c12-8-1-3-9(4-2-8)14-10(16)7-15-5-6-17-11(15)13/h1-6H,7,13H2,(H,14,16) |
InChIKey | InChI | 1.06 | DBANAUMFACXVKZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1scc[n]1CC(=O)Nc2ccc(F)cc2 |
SMILES | CACTVS | 3.385 | Nc1scc[n]1CC(=O)Nc2ccc(F)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC(=O)C[N]2=C(SC=C2)N)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC(=O)C[N]2=C(SC=C2)N)F |