Compound Identification
SMILES
[O-]C(=O)CCC[N+]1=C(NC2=CC=CC=C2C(F)(F)F)SC=C1C1=CC=C(Cl)C=C1
InChIKey
InChIKey=CKGYRCNLCJJLHU-UHFFFAOYSA-N
Formula
C20H16ClF3N2O2S
Mass
440.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Aniline and substituted anilines 2,4-disubstituted thiazoles Chlorobenzenes 2-amino-1,3-thiazoles Aryl chlorides Heteroaromatic compounds Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Secondary amines Organic oxides Hydrocarbon derivatives Organochlorides Carbonyl compounds Organofluorides Alkyl fluorides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiazole - Azole - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available