Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)[C@H](C)SC1=NN=C(O1)C1=CC(C)=CC(C)=C1
InChIKey
InChIKey=MTKDDUOBQBHNID-AWEZNQCLSA-N
Formula
C20H20N2O3S
Mass
368.45
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
Phenylpropanes m-Xylenes Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Alkylarylthioethers 1,3,4-oxadiazoles Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Phenoxy compound - Aryl thioether - Phenol ether - Anisole - M-xylene - Xylene - Aryl alkyl ketone - Methoxybenzene - Benzoyl - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Oxadiazole - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Aldehyde - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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