Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)N1CCCN(CC1)C1=NC(CC2=CC=CC=C2)=NS1
InChIKey
InChIKey=BQTIEGPEVYMJFP-UHFFFAOYSA-N
Formula
C21H21ClN4OS
Mass
412.94
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
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Dialkylarylamines Benzoyl derivatives Chlorobenzenes 1,4-diazepanes Aryl chlorides Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Dialkylarylamine - 1,4-diazepane - Chlorobenzene - Diazepane - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Thiadiazole - Tertiary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available