Compound Identification
SMILES
Br.CCC1=CC=C(C=C1)C1=CSC(=NC2=CC=CC(=C2)C(F)(F)F)N1CC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=PCNUUESAEVWLGB-UHFFFAOYSA-N
Formula
C26H22BrF3N2O2S
Mass
563.43
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
Benzodioxoles Thiazoles Heteroaromatic compounds Isothioureas Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Hydrobromides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Benzodioxole - Azole - Thiazole - Heteroaromatic compound - Isothiourea - Acetal - Organoheterocyclic compound - Azacycle - Oxacycle - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrobromide - Hydrocarbon derivative - 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