Compound Identification
SMILES
O=C(CSC1=C2C=CC=C3C(=O)C4=CC=CC=C4C(C=C1)=C23)OCC#N
InChIKey
InChIKey=YOGNOJYTPDITQW-UHFFFAOYSA-N
Formula
C21H13NO3S
Mass
359.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenanthrenes and derivatives
Alternative Parents
Anthracenes Thiophenol ethers Aryl ketones Alkylarylthioethers Carboxylic acid esters Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Anthracene - Phenanthrene - Aryl thioether - Thiophenol ether - Aryl ketone - Alkylarylthioether - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Cyanide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors
Not available