Compound Identification
SMILES
CC1=CC(CSC2=NN=C(NC(=O)CSC3=NC4=C(S3)C=C(NC(=O)C3=CC=CC=C3Cl)C=C4)S2)=CC=C1
InChIKey
InChIKey=GLERSYALOFZOKS-UHFFFAOYSA-N
Formula
C26H20ClN5O2S4
Mass
598.17
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 Benzothiazoles N-arylamides Benzoyl derivatives Toluenes Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous halides Thiazoles Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - 1,3-benzothiazole - Benzamide - Benzoyl - N-arylamide - Aryl thioether - Alkylarylthioether - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Azole - Thiazole - Heteroaromatic compound - Thiadiazole - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Thioether - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic 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