Compound Identification
SMILES
CC(O)(CSC1=CC=CC(NC(=O)CBr)=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
InChIKey
InChIKey=UTIGFTFHLYIAAT-UHFFFAOYSA-N
Formula
C20H17BrF3N3O3S
Mass
516.33
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
Anilides Thiophenol ethers Benzonitriles N-arylamides Alkylarylthioethers Tertiary alcohols Secondary carboxylic acid amides Nitriles Sulfenyl compounds Organobromides Hydrocarbon derivatives Carbonyl compounds Organofluorides Alkyl bromides Alkyl fluorides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Trifluoromethylbenzene - Anilide - Benzonitrile - Aryl thioether - Thiophenol ether - N-arylamide - Alkylarylthioether - Tertiary alcohol - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl fluoride - Alkyl bromide - Alcohol - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Cyanide - Organic oxide - Alkyl halide - Aromatic homomonocyclic 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