Compound Identification
SMILES
CC1=CC(NC(=O)CSC2=NN=C(CNC(=O)C3=CC=CC=C3F)O2)=C(C)C=C1
InChIKey
InChIKey=QXTBQXLDTZKZRI-UHFFFAOYSA-N
Formula
C20H19FN4O3S
Mass
414.46
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 p-Xylenes N-arylamides Benzoyl derivatives Alkylarylthioethers Fluorobenzenes Aryl fluorides Vinylogous halides 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Anilide - Benzamide - Aryl thioether - N-arylamide - Benzoyl - P-xylene - Xylene - Halobenzene - Alkylarylthioether - Fluorobenzene - Aryl halide - Aryl fluoride - 1,3,4-oxadiazole - Vinylogous halide - Oxadiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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