Compound Identification
SMILES
CC1=CC(CSC2=NN=C(CNC(=O)C3=C(F)C=CC=C3F)O2)=CC=C1
InChIKey
InChIKey=JISWEBPNOZZJBE-UHFFFAOYSA-N
Formula
C18H15F2N3O2S
Mass
375.39
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
Benzamides Benzoyl derivatives Toluenes Alkylarylthioethers Fluorobenzenes Aryl fluorides Vinylogous halides 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Halobenzene - Toluene - Fluorobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Oxadiazole - 1,3,4-oxadiazole - Vinylogous halide - Heteroaromatic compound - Azole - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur 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