Compound Identification
SMILES
SC1=C(C#N)C(=O)NC(N1C1=CC=CC=C1)C1=CC=C(O1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=TZEVGPYGAOXFPH-UHFFFAOYSA-N
Formula
C21H14BrN3O2S
Mass
452.33
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
Aryl bromides Hydropyrimidines Vinylogous amides Furans Heteroaromatic compounds Secondary carboxylic acid amides Ketene acetals Lactams Oxacyclic compounds Alkylthiols Azacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives Organobromides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromobenzene - Aryl bromide - Aryl halide - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Furan - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - Secondary carboxylic acid amide - Lactam - Alkylthiol - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organic oxide - 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