Compound Identification
SMILES
ClC1=C(Cl)N(CC2=NC(=CS2)C(=O)NNS(=O)(=O)C2=CC=C(CNC(=O)C3=CC=C(Cl)C=C3)S2)C=N1
InChIKey
InChIKey=XRGVVMCECNTNJC-UHFFFAOYSA-N
Formula
C20H15Cl3N6O4S3
Mass
605.91
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 Thiazolecarboxamides Benzoyl derivatives 2,4-disubstituted thiazoles 2,5-disubstituted thiophenes Chlorobenzenes Sulfonohydrazides Aryl chlorides N-substituted imidazoles Hydrazinosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Aryl halide - Hydrazinosulfonyl compound - Sulfonohydrazide - Aryl chloride - N-substituted imidazole - Heteroaromatic compound - Thiophene - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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