Compound Identification
SMILES
CCOP(=O)(OCC)C1=C(N)[N+](C2=CC=C(C=C2)C(C)=O)=C(C2=CC=CC=C2)C(C#N)=C1SC
InChIKey
InChIKey=QRJOTYJHSCOMQE-UHFFFAOYSA-O
Formula
C25H27N3O4PS
Mass
496.54
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
Phenylpyridines Acetophenones 3-pyridinecarbonitriles Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Aminopyridines and derivatives Phosphonic acid diesters Pyridinium derivatives Phosphonic acid esters Heteroaromatic compounds Nitriles Azacyclic compounds Sulfenyl compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Primary amines Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 2-phenylpyridine - Acetophenone - Aryl thioether - Benzoyl - 3-pyridinecarbonitrile - Aryl alkyl ketone - Aminopyridine - Phosphonic acid diester - Alkylarylthioether - Monocyclic benzene moiety - Phosphonic acid ester - Pyridine - Benzenoid - Pyridinium - Organophosphonic acid derivative - Heteroaromatic compound - Sulfenyl compound - Organoheterocyclic compound - Thioether - Azacycle - Carbonitrile - Nitrile - Primary amine - Cyanide - Organophosphorus compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Organic oxide - Organic cation - 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