Compound Identification
SMILES
CC1=C(SC(=N1)C(N)(C(=O)CC1=CC(=C(C=C1)S(C)(=O)=O)C(F)(F)F)C1=NC=CN=C1)C1=CC(=C(C=C1)S(C)(=O)=O)C(F)(F)F
InChIKey
InChIKey=IFWIEBCWQKINOX-UHFFFAOYSA-N
Formula
C27H22F6N4O5S3
Mass
692.67
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
Benzenesulfonyl compounds 2,4,5-trisubstituted thiazoles Aralkylamines Pyrazines Sulfones Heteroaromatic compounds Alpha-amino ketones Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Benzenesulfonyl group - 2,4,5-trisubstituted 1,3-thiazole - Aralkylamine - Pyrazine - Alpha-aminoketone - Azole - Heteroaromatic compound - Thiazole - Sulfonyl - Sulfone - Ketone - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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