Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)NNC1=NC(=O)CC(S1)C(=O)NC1=CC=CC=C1
InChIKey
InChIKey=WGRMSFFNJVIXKP-UHFFFAOYSA-N
Formula
C18H15ClN4O3S
Mass
402.85
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
4-halobenzoic acids and derivatives
Alternative Parents
Anilides N-arylamides Benzoyl derivatives Chlorobenzenes Aryl chlorides 1,3-thiazines Secondary carboxylic acid amides N-acylimines Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Anilide - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Meta-thiazine - Aryl chloride - Aryl halide - Carboxamide group - Carboxylic acid hydrazide - N-acylimine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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