Compound Identification
SMILES
OC(=O)C1=CC=C(CSC(NC2=CC=CC(=C2)C(F)(F)F)=C(C#N)C#N)C=C1
InChIKey
InChIKey=CGUMTZLEERNXOK-UHFFFAOYSA-N
Formula
C19H12F3N3O2S
Mass
403.38
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
Benzoic acids Benzoyl derivatives Ketene acetals Sulfenyl compounds Nitriles Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Ketene acetal or derivatives - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Sulfenyl compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Alkyl halide - Alkyl fluoride - Cyanide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - 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