Compound Identification
SMILES
CCOC1=CC=CC(=CNNC(=O)CSC2NNC(N2C2=CC=C(Cl)C=C2)C2=CC=C(C)C=C2)C1=O
InChIKey
InChIKey=JMFZSNCIKQHSDN-UHFFFAOYSA-N
Formula
C26H28ClN5O3S
Mass
526.05
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 O-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
O-quinomethanes
Alternative Parents
Dialkylarylamines Toluenes Chlorobenzenes Aryl chlorides Vinylogous amides Triazolidines Carboxylic acid hydrazides Sulfenyl compounds Dialkylthioethers Azacyclic compounds Alkylhydrazines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dialkylarylamine - O-quinomethane - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Triazolidine - Carboxylic acid hydrazide - Alkylhydrazine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Thioether - Dialkylthioether - Sulfenyl compound - Hydrazine derivative - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available