Compound Identification
SMILES
COC1=CC(=CC(CCCC[NH3+])=C2ONC(=N2)C2=CC=CS2)C=C(Cl)C1=O
InChIKey
InChIKey=KWTSORZTWKFOHK-UHFFFAOYSA-O
Formula
C19H21ClN3O3S
Mass
406.9
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
-
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
Imidolactams Alpha-chloroketones Thiophenes Quaternary ammonium salts Heteroaromatic compounds Ketene acetals Vinyl chlorides Amidines Azacyclic compounds Chloroalkenes Oxacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides Monoalkylamines Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-quinomethane - Imidolactam - Alpha-haloketone - Alpha-chloroketone - Quaternary ammonium salt - Heteroaromatic compound - Thiophene - Ketene acetal or derivatives - Amidine - Oxacycle - Vinyl chloride - Vinyl halide - Azacycle - Organoheterocyclic compound - Haloalkene - Chloroalkene - Hydrocarbon derivative - Primary amine - Organic oxide - Amine - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organic cation - 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