Compound Identification
SMILES
CC(NN1C(=S)NN=C(C)C1=O)=C1C=CC=CC1=O
InChIKey
InChIKey=DZYJQTCHOIRACJ-UHFFFAOYSA-N
Formula
C12H12N4O2S
Mass
276.31
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
Triazinethiones 1,2,4-triazines Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Triazinethione - 1,2,4-triazine - Triazine - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - 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