Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)NCC1=CC=C(S1)S(=O)(=O)NNC(=O)C1=CSC(=N1)C1=CC=C(C=C1)C1SCCS1
InChIKey
InChIKey=QGPMWNYJRIRPEZ-UHFFFAOYSA-N
Formula
C25H21ClN4O4S5
Mass
637.22
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 Hydrazinosulfonyl compounds 1,3-dithiolanes Dithioacetals Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Dialkylthioethers 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 chloride - Aryl halide - Sulfonohydrazide - Hydrazinosulfonyl compound - Azole - Heteroaromatic compound - Thioacetal - Dithiolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - 1,3-dithiolane - Thiophene - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Thioether - Azacycle - Carboxylic acid derivative - Dialkylthioether - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - 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