Compound Identification
SMILES
CC1=CC=C(C=C1)C1=NC(SCC(=O)C2=CC=CC=C2)=C(C#N)C(=C1)C1=CC=CC=C1
InChIKey
InChIKey=YZKTYAVLTJPWBZ-UHFFFAOYSA-N
Formula
C27H20N2OS
Mass
420.53
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 Benzoyl derivatives Aryl alkyl ketones 3-pyridinecarbonitriles Toluenes Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 2-phenylpyridine - 4-phenylpyridine - Aryl thioether - Benzoyl - 3-pyridinecarbonitrile - Aryl alkyl ketone - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Nitrile - Carbonitrile - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - 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