Compound Identification
SMILES
OC1=C(C=C2SC(=S)N(NC(=O)C3=CC=C(Cl)C=C3)C2=O)C=C(Br)C=C1
InChIKey
InChIKey=PSCASGIBSUINKD-UHFFFAOYSA-N
Formula
C17H10BrClN2O3S2
Mass
469.75
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
Benzoyl derivatives P-bromophenols 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Chlorobenzenes Aryl chlorides Aryl bromides Thiazolidinethiones Carboxylic acid hydrazides Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds Organosulfur compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzoyl - 4-bromophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Phenol - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Thiazolidinethione - Thiazolidine - Carboxylic acid hydrazide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - 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