Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)CSC1=NN=C2N1C(C)(C)CC1=CC=CC=C21
InChIKey
InChIKey=HSNFMFGVZQLISG-UHFFFAOYSA-N
Formula
C21H21N3O2S
Mass
379.48
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
Triazolopyridines Anisoles Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Pyridines and derivatives Heteroaromatic compounds Triazoles Azacyclic compounds Sulfenyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Triazolopyridine - Phenol ether - Aryl alkyl ketone - Benzoyl - Methoxybenzene - Phenoxy compound - Anisole - Aryl thioether - Alkylarylthioether - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - 1,2,4-triazole - Heteroaromatic compound - Azole - Triazole - Azacycle - Organoheterocyclic compound - Ether - Sulfenyl compound - Thioether - Organic oxide - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - 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