Compound Identification
SMILES
CSC1=NC(=O)N\C(N1)=C1\C=CC(=O)C(O)=C1
InChIKey
InChIKey=BYWBTNMXVRVCLS-VMPITWQZSA-N
Formula
C10H9N3O3S
Mass
251.26
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
Triazinones 1,3,5-triazines Ketene acetals Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Enols Carboximidamides Azacyclic compounds Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
P-quinomethane - Triazinone - Triazine - 1,3,5-triazine - Isothiourea - Ketene acetal or derivatives - Enol - Azacycle - Organoheterocyclic compound - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Imine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organosulfur compound - Aliphatic 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