Compound Identification
SMILES
COC1=CC=CC(CC2=NSC(=N2)N2CCC(CNC(=O)C3=CC=CC=C3Cl)CC2)=C1
InChIKey
InChIKey=XWCNJGMCKYEVNU-UHFFFAOYSA-N
Formula
C23H25ClN4O2S
Mass
456.99
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 Anisoles Benzoyl derivatives Dialkylarylamines Methoxybenzenes Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Piperidines Heteroaromatic compounds Vinylogous halides Thiadiazoles Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Dialkylarylamine - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Piperidine - Thiadiazole - Vinylogous halide - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organochloride - 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