Compound Identification
SMILES
CCOC(=O)C1=C2SC(=CC3=CC(C)=CC=C3)C(=O)N2C(N)=C(C#N)C1C1=CC(C)=CC=C1
InChIKey
InChIKey=GYNYVDWGQTUAOQ-UHFFFAOYSA-N
Formula
C26H23N3O3S
Mass
457.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluenes
Alternative Parents
Vinylogous amides Thiazoles Heteroaromatic compounds Enoate esters Lactams Ketene acetals Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Toluene - Azole - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Ketene acetal or derivatives - Lactam - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors
Not available