Compound Identification
SMILES
CN(C)C1=CC=C(C=C2SC(=S)N(C(=O)C3=CC=C(Br)C=C3)C2=O)C=C1
InChIKey
InChIKey=CNZZGJAXTWKUMC-UHFFFAOYSA-N
Formula
C19H15BrN2O2S2
Mass
447.37
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
Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Bromobenzenes N-substituted carboxylic acid imides Aryl bromides Thiazolidinethiones Dicarboximides Cyclic dithiocarbamic acid esters Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides Organosulfur compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzoyl - Bromobenzene - Halobenzene - Thiazolidinethione - Carboxylic acid imide, n-substituted - Aryl halide - Aryl bromide - Dithiocarbamic acid ester - Dicarboximide - Carboxylic acid imide - Thiazolidine - Cyclic dithiocarbamic acid ester - Amino acid or derivatives - Tertiary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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