Compound Identification
SMILES
CCOC(=O)C1=CC=C(NC2=C(C#N)C(N)=C(S2)C(=O)C2=CC=C(C=C2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=LKDZHYRMDKOYID-UHFFFAOYSA-N
Formula
C27H21N3O3S
Mass
467.54
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
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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
Aryl-phenylketones
Alternative Parents
Biphenyls and derivatives Benzoic acid esters 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Aniline and substituted anilines Benzoyl derivatives N-arylated-2-aminothiophenes Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Secondary amines Nitriles Monocarboxylic acids and derivatives Organic oxides Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - Biphenyl - Benzoate ester - Benzoic acid or derivatives - 3,4,5-trisubstituted-2-aminothiophene - Aniline or substituted anilines - Thiophene carboxylic acid or derivatives - Benzoyl - N-arylated-2-aminothiophene - 2-aminothiophene - Aminothiophene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Thiophene - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Primary amine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic 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