Compound Identification
SMILES
CC1=C(F)C=C(NC(S)=C(C(=O)C2=CC=CC=C2Cl)[N+]2=CC=CC=C2)C=C1
InChIKey
InChIKey=MJCMBVLFQZDMDF-UHFFFAOYSA-O
Formula
C21H17ClFN2OS
Mass
399.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoyl derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoyl derivatives
Alternative Parents
Aryl ketones Toluenes Chlorobenzenes Fluorobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Pyridinium derivatives Aryl fluorides Acryloyl compounds Vinylogous halides Vinylogous amides Enones Heteroaromatic compounds Azacyclic compounds Alkylthiols Organochlorides Organofluorides Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoyl - Aryl ketone - Chlorobenzene - Fluorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Pyridinium - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Heteroaromatic compound - Enone - Vinylogous amide - Vinylogous halide - Alpha,beta-unsaturated ketone - Ketone - Organoheterocyclic compound - Azacycle - Alkylthiol - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
External Descriptors
Not available