Compound Identification
SMILES
CC(C)=CCSC1=C(C#N)[C@@H](C(C(C)=O)C(C)=N1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=WKHAQCVUTNFGFR-GGYWPGCISA-N
Formula
C20H21BrN2OS
Mass
417.37
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
Dihydropyridines Aryl bromides Ketones Ketimines Ketene acetals Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromobenzene - Dihydropyridine - Aryl bromide - Aryl halide - Hydropyridine - Ketene acetal or derivatives - Ketimine - Ketone - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Imine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen 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