Compound Identification
SMILES
COC1=C(C)C(CSSCC2=CC=CC=C2)=[N+](C=C1)C1=NC2=C(N1)C=C1C(=C2)C(C)(C)C(=O)C1(C)C
InChIKey
InChIKey=YLALBXHSKOWMKE-UHFFFAOYSA-N
Formula
C29H32N3O2S2
Mass
518.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Indanes
Subclass
Indanones
Intermediate Tree Nodes
Not available
Direct Parent
Indanones
Alternative Parents
Benzimidazoles Methylpyridines Alkyl aryl ethers Pyridinium derivatives Benzene and substituted derivatives Imidazoles Heteroaromatic compounds Dialkyldisulfides Cyclic ketones Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indanone - Benzimidazole - Alkyl aryl ether - Methylpyridine - Monocyclic benzene moiety - Pyridine - Pyridinium - Azole - Imidazole - Heteroaromatic compound - Cyclic ketone - Dialkyldisulfide - Ketone - Organic disulfide - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
External Descriptors
Not available