Compound Identification
SMILES
OC(=O)CC1=CSC2=C1C(Cl)=CC(OCC1=NOC(=C1)C1=CC=C(C=C1)C(F)(F)F)=C2
InChIKey
InChIKey=NYCOHPNFMJTKMD-UHFFFAOYSA-N
Formula
C21H13ClF3NO4S
Mass
467.84
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
1-benzothiophenes Phenol ethers Alkyl aryl ethers Aryl chlorides Thiophenes Heteroaromatic compounds Isoxazoles Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Alkyl fluorides Carbonyl compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - 1-benzothiophene - Benzothiophene - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Isoxazole - Thiophene - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - 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