Compound Identification
SMILES
CC1=C(NC(=O)CSC2=NN=C(CCNC(=O)C3=CC=CC=C3F)N2CC=C)C=C(Cl)C=C1
InChIKey
InChIKey=QVHIYPHOLYRFCH-UHFFFAOYSA-N
Formula
C23H23ClFN5O2S
Mass
487.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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 Benzoyl derivatives N-arylamides Alkylarylthioethers Toluenes Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organochlorides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Anilide - Aryl thioether - Benzoyl - N-arylamide - Halobenzene - Fluorobenzene - Chlorobenzene - Alkylarylthioether - Toluene - Aryl chloride - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen 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