Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C(=O)CSC1=NN=C(N1C1=CC=C(Br)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=LROLJJVBSLPBOB-UHFFFAOYSA-N
Formula
C22H15BrN4O3S
Mass
495.35
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
Phenyl-1,2,4-triazoles Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Bromobenzenes Alkylarylthioethers Aryl bromides Heteroaromatic compounds Organic oxoazanium compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,4-triazole - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Aryl thioether - Alkylarylthioether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Triazole - 1,2,4-triazole - Organic nitro compound - C-nitro compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Thioether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic salt - Organonitrogen compound - Organic oxide - Organosulfur compound - Organic zwitterion - Aromatic heteromonocyclic 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