Compound Identification
SMILES
OC(=O)C1=CC=C(COCCCN2C(=S)SC(=CC3=CC(=CS3)C3=CC(=C(F)C=C3)C(F)(F)F)C2=O)C=C1
InChIKey
InChIKey=ZAJFESOXMZHGHL-UHFFFAOYSA-N
Formula
C26H19F4NO4S3
Mass
581.61
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
Benzoic acids Benzylethers Benzoyl derivatives Fluorobenzenes Thiazolidinethiones Aryl fluorides Thiophenes Cyclic dithiocarbamic acid esters Heteroaromatic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Organosulfur compounds Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Benzylether - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Heteroaromatic compound - Dithiocarbamic acid ester - Thiazolidine - Thiophene - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Azacycle - Ether - Alkyl fluoride - Organohalogen compound - Organofluoride - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - 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