Compound Identification
SMILES
CC(C)C1CC2=C(CO1)SC1=C2C(=O)N(C2=NN=C(SCC(=O)C3=CC=C(Br)C=C3)N12)C1=CC=CC(C)=C1
InChIKey
InChIKey=SEIJKCHZUJMMMW-UHFFFAOYSA-N
Formula
C28H25BrN4O3S2
Mass
609.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Triazolopyrimidines Thienopyrans Thienopyrimidines Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Bromobenzenes Pyrimidones Toluenes Pyrans Aryl bromides Thiophenes Vinylogous amides Triazoles Heteroaromatic compounds Lactams Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Dialkyl ethers Organobromides Organopnictogen compounds Aldehydes Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Thienopyrimidine - Triazolopyrimidine - Thienopyran - Aryl thioether - Benzoyl - Aryl alkyl ketone - Toluene - Bromobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Pyrimidine - Benzenoid - Pyran - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Azole - Heteroaromatic compound - Vinylogous amide - 1,2,4-triazole - Thiophene - Triazole - Lactam - Thioether - Sulfenyl compound - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic oxide - Aldehyde - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available