Compound Identification
SMILES
OC(=O)C1(O)CCN(CC1)C1=NC(=O)\C(S1)=C/C1=CC2=C(C=C1)N(CC1=C(C=C(Cl)C=C1)C(F)(F)F)N=C2
InChIKey
InChIKey=SOXBKMHMPWVMIA-KEBDBYFISA-N
Formula
C25H20ClF3N4O4S
Mass
564.96
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
Piperidinecarboxylic acids Indazoles Chlorobenzenes Alpha hydroxy acids and derivatives Aryl chlorides Thiazolines Tertiary alcohols Pyrazoles Heteroaromatic compounds N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboximidamides Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Amines Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Benzopyrazole - Piperidinecarboxylic acid - Indazole - Halobenzene - Chlorobenzene - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Hydroxy acid - Piperidine - Azole - Heteroaromatic compound - Meta-thiazoline - Tertiary alcohol - Pyrazole - Isothiourea - N-acylimine - Carboxylic acid derivative - Carboxylic acid - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Alcohol - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - 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