Compound Identification
SMILES
CCOC1=CC=C(C=C1)C(=O)[C@@H](C)SC1=NNC(=N1)C1=C(OC)C=CC(Cl)=C1
InChIKey
InChIKey=CCUYCNNFUXXJEH-GFCCVEGCSA-N
Formula
C20H20ClN3O3S
Mass
417.91
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 Phenylpropanes Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,4-triazole - Phenylpropane - Phenol ether - Phenoxy compound - Aryl thioether - Aryl alkyl ketone - Benzoyl - Methoxybenzene - Anisole - Chlorobenzene - Alkylarylthioether - Alkyl aryl ether - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Ether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Thioether - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - 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