Compound Identification
SMILES
CCN1C(=O)C(SC1=NC1=CC=CC=C1)=CC1=CC(OC)=C(OCC2=CC=CC=C2C#N)C=C1
InChIKey
InChIKey=QYTAMAVRBPCAEG-UHFFFAOYSA-N
Formula
C27H23N3O3S
Mass
469.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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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 Alkyl aryl ethers Thiazolidines Isothioureas Propargyl-type 1,3-dipolar organic compounds Nitriles Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Alkyl aryl ether - Thiazolidine - Isothiourea - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Cyanide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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