Compound Identification
SMILES
O=C1C2=C(CCC1=CN1CCOCC1)N=C(S2)C1=CC=CC=C1
InChIKey
InChIKey=UEUFIIPMYFYONF-UHFFFAOYSA-N
Formula
C18H18N2O2S
Mass
326.41
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
-
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
Aryl ketones Morpholines Benzene and substituted derivatives Vinylogous amides Thiazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Enamines Dialkyl ethers Azacyclic compounds Allylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-quinomethane - Aryl ketone - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Vinylogous amide - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Enamine - Ether - Allylamine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic 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