Compound Identification
SMILES
OCC1CN(CCO1)C1=NC(NC2=CC(Cl)=C(C=C2)C(F)(F)F)=C2N=C(NC3=C(Cl)C=CC=C3Cl)SC2=N1
InChIKey
InChIKey=KQCVWHLQEURCEO-UHFFFAOYSA-N
Formula
C23H18Cl3F3N6O2S
Mass
605.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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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
1,3-thiazolo[5,4-d]pyrimidines Aniline and substituted anilines Dialkylarylamines Dichlorobenzenes Aminopyrimidines and derivatives Morpholines Imidolactams 2-amino-1,3-thiazoles Aryl chlorides Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Secondary amines Oxacyclic compounds Organochlorides Hydrocarbon derivatives Alkyl fluorides Organofluorides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - 1,3-thiazolo[5,4-d]pyrimidine - 1,3-dichlorobenzene - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Pyrimidine - Imidolactam - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiazole - Azole - Tertiary amine - Secondary amine - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Azacycle - Alkyl halide - Organic nitrogen compound - Hydrocarbon derivative - Alkyl fluoride - Amine - Organic oxygen compound - Primary alcohol - Alcohol - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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