Compound Identification
SMILES
CC(C)(C)NC(=S)NNC=C1C=C(Cl)C=C(Cl)C1=O
InChIKey
InChIKey=JFOFWDBZCFWVGO-UHFFFAOYSA-N
Formula
C12H15Cl2N3OS
Mass
320.23
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
-
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
Vinylogous amides Thiosemicarbazides Alpha-chloroketones Vinyl chlorides Chloroalkenes Organosulfur compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
O-quinomethane - Alpha-haloketone - Alpha-chloroketone - Thiosemicarbazide - Vinylogous amide - Vinyl chloride - Chloroalkene - Haloalkene - Vinyl halide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aliphatic homomonocyclic 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