Compound Identification
SMILES
COC(=O)C1=CC=CC=C1NC=C(C#N)C1=NC(=CS1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=UCDOQIMQJPSGJF-UHFFFAOYSA-N
Formula
C20H14BrN3O2S
Mass
440.32
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives 2,4-disubstituted thiazoles Bromobenzenes Aryl bromides Vinylogous amides Methyl esters Heteroaromatic compounds Nitriles Azacyclic compounds Enamines Organooxygen compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Azole - Vinylogous amide - Methyl ester - Thiazole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Enamine - Carbonitrile - Nitrile - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organobromide - Hydrocarbon derivative - Cyanide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available