Compound Identification
SMILES
COC1=C(NC(C)=O)C=CC(=C1)C(=O)CSC1=NC=C(C#N)C(N)=N1
InChIKey
InChIKey=UTBSKZZGMNVLQY-UHFFFAOYSA-N
Formula
C16H15N5O3S
Mass
357.39
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
Acetanilides N-acetylarylamines Methoxyanilines Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Alkylarylthioethers Aminopyrimidines and derivatives Imidolactams Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Nitriles Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetanilide - Anilide - Methoxyaniline - N-acetylarylamine - Aryl thioether - Benzoyl - N-arylamide - Aryl alkyl ketone - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Alkylarylthioether - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Benzenoid - Acetamide - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Cyanide - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Organosulfur compound - Primary amine - 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