Compound Identification
SMILES
CC1=CC(C)=C(NC(=O)CSC2=NN=C(CNC(=O)C3=C(F)C=CC=C3Cl)O2)C=C1
InChIKey
InChIKey=BCJKFDYRFLMZHC-UHFFFAOYSA-N
Formula
C20H18ClFN4O3S
Mass
448.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Anilides Benzamides m-Xylenes N-arylamides Benzoyl derivatives Alkylarylthioethers Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Anilide - Benzamide - N-arylamide - Aryl thioether - Benzoyl - Xylene - M-xylene - Alkylarylthioether - Halobenzene - Chlorobenzene - Fluorobenzene - Aryl chloride - Aryl halide - Aryl fluoride - Heteroaromatic compound - Oxadiazole - Vinylogous halide - Azole - 1,3,4-oxadiazole - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available