Compound Identification
SMILES
C=CCN1C(SCC2=CC=CC(=C2)C#N)=NN\C1=C1\C=CC=CC1=O
InChIKey
InChIKey=YPPORRLROSTXFU-FBMGVBCBSA-N
Formula
C19H16N4OS
Mass
348.42
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
Benzonitriles Vinylogous amides Triazolines Ketene acetals Sulfenyl compounds Nitriles Hydrazones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - O-quinomethane - Monocyclic benzene moiety - Benzenoid - Triazoline - Vinylogous amide - Ketene acetal or derivatives - Hydrazone - Carbonitrile - Nitrile - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic oxide - Organic nitrogen 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