Compound Identification
SMILES
CCCCCCCCOC1=C(C=C(NC2=NC(=CS2)C2=CC3=C(COOC3)C=C2)C=C1)C(F)(F)F
InChIKey
InChIKey=NEOBKKJBFSDGEW-UHFFFAOYSA-N
Formula
C26H29F3N2O3S
Mass
506.58
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
Benzo-2,3-dioxanes Phenoxy compounds Phenol ethers Aniline and substituted anilines Alkyl aryl ethers 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Dialkyl peroxides Oxacyclic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Amines Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-2,3-dioxane - Benzodioxane - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiazole - Azole - Dialkyl peroxide - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Alkyl halide - Alkyl fluoride - 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