Compound Identification
SMILES
COC(=O)CSC1=C(C#N)C(CC(=O)N1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=VSOFQKLZZVUXER-UHFFFAOYSA-N
Formula
C15H13BrN2O3S
Mass
381.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Bromobenzenes
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Subclass
Halobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Bromobenzenes
Alternative Parents
Tetrahydropyridines Aryl bromides Methyl esters Secondary carboxylic acid amides Lactams Ketene acetals Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromobenzene - Tetrahydropyridine - Aryl bromide - Aryl halide - Hydropyridine - Methyl ester - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Lactam - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Organosulfur compound - Organohalogen compound - Cyanide - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organobromide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
External Descriptors
Not available