Compound Identification
SMILES
COC1=CC(=CNNC(=O)CSC2NNC(N2C2=CC=C(Cl)C=C2)C2=CC=C(C)C=C2)C=C(OC)C1=O
InChIKey
InChIKey=KSCCPKLZMAESMC-UHFFFAOYSA-N
Formula
C26H28ClN5O4S
Mass
542.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 P-quinomethanes
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Level 7
Quinomethanes
-
Level 6
Cyclic 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 - Cyclic ketones - Quinomethanes
Direct Parent
P-quinomethanes
Alternative Parents
Dialkylarylamines Toluenes Chlorobenzenes Aryl chlorides Triazolidines Carboxylic acid hydrazides Sulfenyl compounds Dialkylthioethers Azacyclic compounds Alkylhydrazines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-quinomethane - Dialkylarylamine - Chlorobenzene - Halobenzene - Toluene - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Benzenoid - Triazolidine - Carboxylic acid hydrazide - Dialkylthioether - Organoheterocyclic compound - Thioether - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Alkylhydrazine - Organic nitrogen compound - Organohalogen compound - Hydrazine derivative - Organopnictogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
External Descriptors
Not available