Compound Identification
SMILES
COC1=CC=CC=C1C(=O)C1=C(N)C(C#N)=C(NC2=CC3=C(OCO3)C=C2)S1
InChIKey
InChIKey=GHHCKWJTJAWYDN-UHFFFAOYSA-N
Formula
C20H15N3O4S
Mass
393.42
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 Aryl-phenylketones
-
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
Aryl-phenylketones
Alternative Parents
3,4,5-trisubstituted-2-aminothiophenes Benzodioxoles Anisoles Thiophene carboxylic acids and derivatives Benzoyl derivatives Methoxybenzenes Phenoxy compounds N-arylated-2-aminothiophenes Alkyl aryl ethers Primary aromatic amines Heteroaromatic compounds Vinylogous amides Nitriles Acetals Oxacyclic compounds Hydrocarbon derivatives Aldehydes Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - Benzodioxole - 3,4,5-trisubstituted-2-aminothiophene - Anisole - Benzoyl - Phenol ether - Thiophene carboxylic acid or derivatives - Phenoxy compound - Methoxybenzene - N-arylated-2-aminothiophene - Alkyl aryl ether - Aminothiophene - 2-aminothiophene - Benzenoid - Primary aromatic amine - Monocyclic benzene moiety - Vinylogous amide - Thiophene - Heteroaromatic compound - Acetal - Organoheterocyclic compound - Oxacycle - Nitrile - Carbonitrile - Ether - Cyanide - Aldehyde - Organic nitrogen compound - Organonitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available