Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)N1C(SCC(=O)C2=CC=C(Cl)C=C2)=NC2=C1C1=C(CCCC1)S2
InChIKey
InChIKey=NYKDRZIMHDBLTL-UHFFFAOYSA-N
Formula
C25H21ClN2O3S2
Mass
497.02
Taxonomic Classification
Taxonomy Tree
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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
Benzoic acids and derivatives Thienoimidazoles Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers N-acylimidazoles Chlorobenzenes Carbonylimidazoles Aryl chlorides Thiophenes Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Thienoimidazole - Aryl alkyl ketone - Methoxybenzene - Aryl thioether - Phenoxy compound - N-acylimidazole - Alkylarylthioether - Alkyl aryl ether - Imidazole-1-carbonyl group - Chlorobenzene - Halobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - N-substituted imidazole - Heteroaromatic compound - Azole - Thiophene - Imidazole - Ether - Thioether - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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