Compound Identification
SMILES
CNC(=O)C(\C#N)=C1/S[C@@H](CC2=CC=C(Br)C=C2)C(=O)N1C1=CC=CC=C1
InChIKey
InChIKey=OBLIRTDUTKKVTJ-IMGOXIFKSA-N
Formula
C20H16BrN3O2S
Mass
442.33
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
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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
Vinylogous thioesters Aryl bromides Vinylogous amides Thiazolidines Tertiary carboxylic acid amides Tertiary amines Secondary carboxylic acid amides Amino acids and derivatives Lactams Ketene acetals Nitriles Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromobenzene - Aryl bromide - Aryl halide - Vinylogous thioester - Vinylogous amide - Thiazolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Ketene acetal or derivatives - Lactam - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organohalogen compound - Organobromide - 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