Compound Identification
SMILES
COC1=CC(=O)\C(C=C1)=C1/NC(SC)=N\C(N1)=C1/C=CC(OC)=CC1=O
InChIKey
InChIKey=PXWUVRBUSQUKNG-RFTYBOQRSA-N
Formula
C18H17N3O4S
Mass
371.41
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
1,3,5-triazines Vinylogous esters Vinylogous amides Ketene acetals Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
O-quinomethane - Triazine - 1,3,5-triazine - Vinylogous amide - Vinylogous ester - Isothiourea - Ketene acetal or derivatives - Azacycle - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organosulfur compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic 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