Compound Identification
SMILES
COC1=CC(C(=O)CSC2=NN=C(NC3CC3)S2)=C(OC)C=C1
InChIKey
InChIKey=COTIYMJFFYIIIM-UHFFFAOYSA-N
Formula
C15H17N3O3S2
Mass
351.44
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
Dimethoxybenzenes Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Anisoles Alkylarylthioethers Alkyl aryl ethers 2-amino-5-substituted-1,3,4-thiadiazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Dimethoxybenzene - P-dimethoxybenzene - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Phenoxy compound - Methoxybenzene - Aryl thioether - 2-amino-5-substituted-1,3,4-thiadiazole - Alkylarylthioether - Alkyl aryl ether - Monocyclic benzene moiety - 2-amino-1,3,4-thiadiazole - Benzenoid - Heteroaromatic compound - Azole - Thiadiazole - Organoheterocyclic compound - Ether - Azacycle - Thioether - Sulfenyl compound - Organosulfur compound - Organonitrogen compound - Amine - Organic nitrogen 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