G7L
Summary
Name: | N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide |
Formula: | C9 H9 F3 N2 O S |
Formal charge: | 0 |
Formula weight: | 250.241 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-~{N}-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C9H9F3N2OS/c1-3-8(15)14(2)4-7-13-6(5-16-7)9(10,11)12/h3,5H,1,4H2,2H3 |
InChIKey | InChI | 1.03 | ZPJNBQRFMJDXHX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1scc(n1)C(F)(F)F)C(=O)C=C |
SMILES | CACTVS | 3.385 | CN(Cc1scc(n1)C(F)(F)F)C(=O)C=C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(Cc1nc(cs1)C(F)(F)F)C(=O)C=C |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(Cc1nc(cs1)C(F)(F)F)C(=O)C=C |