Compound Identification
SMILES
CC1=C(Br)C=C2C(=O)C(CN3CCCC3)(COC2=C1Br)SC1=CC=CC=C1
InChIKey
InChIKey=GBTYMGZTHZIZBT-UHFFFAOYSA-N
Formula
C21H21Br2NO2S
Mass
511.27
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
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Subclass
1-benzopyrans
- Level 5 Chromones
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Subclass
1-benzopyrans
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Class
Benzopyrans
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
Chromones
Alternative Parents
Thiophenol ethers Aryl alkyl ketones Alkylarylthioethers Alkyl aryl ethers N-alkylpyrrolidines Benzene and substituted derivatives Aryl bromides Trialkylamines Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chromone - Aryl thioether - Aryl alkyl ketone - Aryl ketone - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Ketone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Oxacycle - Thioether - Sulfenyl compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
External Descriptors
Not available