Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2C#N)C=CC(C=C2SC(=O)N(CC#C)C2=O)=C1
InChIKey
InChIKey=FSLRNNBBCBMBQM-UHFFFAOYSA-N
Formula
C22H16N2O4S
Mass
404.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Thiazolidinediones Alkyl aryl ethers N-acyl amines Dicarboximides Thiocarbamic acid derivatives Organic carbonic acids and derivatives Sulfenyl compounds Nitriles Haloacetylenes and derivatives Azacyclic compounds Acetylides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Methoxybenzene - Phenol ether - Benzonitrile - Anisole - Thiazolidinedione - Alkyl aryl ether - N-acyl-amine - Thiazolidine - Dicarboximide - Thiocarbamic acid derivative - Carbonic acid derivative - Haloacetylene or derivatives - Acetylide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Nitrile - Carbonitrile - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available