Compound Identification
SMILES
CC1=NN2C(=C1)N=NC(C(=O)N1CCC(CC1)C1=NC(=CS1)C(=O)NNC(=O)C1=CC(Cl)=CC=C1)=C2C
InChIKey
InChIKey=LLQNEQWJCFQUMU-UHFFFAOYSA-N
Formula
C24H23ClN8O3S
Mass
539.01
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
3-halobenzoic acids and derivatives
Alternative Parents
N-acylpiperidines Pyrazolotriazines 2-heteroaryl carboxamides Benzoyl derivatives Thiazolecarboxamides Chlorobenzenes 2,4-disubstituted thiazoles Aryl chlorides 1,2,4-triazines Vinylogous amides Heteroaromatic compounds Pyrazoles Tertiary carboxylic acid amides Carboxylic acid hydrazides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - N-acyl-piperidine - Pyrazolotriazine - 2-heteroaryl carboxamide - Benzoyl - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,2,4-triazine - Piperidine - Triazine - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Thiazole - Tertiary carboxylic acid amide - Carboxylic acid hydrazide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available