Compound Identification
SMILES
CN1C2=C(C(CC(=O)NC3=NC(=CS3)C3=CC(Cl)=C(C=C3)C(F)(F)F)=C(C)O2)C(=O)N(C)C1=O
InChIKey
InChIKey=CCBNIOPFSGWQRK-UHFFFAOYSA-N
Formula
C21H16ClF3N4O4S
Mass
512.89
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
Furo[2,3-d]pyrimidines N-arylamides 2,4-disubstituted thiazoles Pyrimidones Chlorobenzenes Aryl chlorides Vinylogous amides Furans Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organochlorides Organofluorides Carbonyl compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Furo[2,3-d]pyrimidine - N-arylamide - 2,4-disubstituted 1,3-thiazole - Halobenzene - Pyrimidone - Chlorobenzene - Aryl chloride - Aryl halide - Pyrimidine - Azole - Heteroaromatic compound - Thiazole - Furan - Vinylogous amide - Lactam - Urea - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Organofluoride - 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