Compound Identification
SMILES
COCCC1=C(C)N=C(S1)C1=NC(NC2=CC(Br)=CC(=C2)C(F)(F)F)=NC=C1
InChIKey
InChIKey=IHHGLEQDERKNIX-UHFFFAOYSA-N
Formula
C18H16BrF3N4OS
Mass
473.31
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 2,4,5-trisubstituted thiazoles Bromobenzenes Aminopyrimidines and derivatives Aryl bromides Heteroaromatic compounds Secondary amines Dialkyl ethers Azacyclic compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - 2,4,5-trisubstituted 1,3-thiazole - Aniline or substituted anilines - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyrimidine - Heteroaromatic compound - Azole - Thiazole - Azacycle - Organoheterocyclic compound - Secondary amine - Dialkyl ether - Ether - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - 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