Compound Identification
SMILES
CC1=CC=C(C=C1)N1C(=O)C(CC2=CC=CC=C2C)SC1=C(C#N)C(=O)NCC1=CC=CO1
InChIKey
InChIKey=IJPISXVNTLAGTA-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 thioesters Vinylogous amides Thiazolidines Tertiary carboxylic acid amides Furans Heteroaromatic compounds Secondary carboxylic acid amides Lactams Ketene acetals Oxacyclic compounds Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Toluene - Vinylogous thioester - Furan - Tertiary carboxylic acid amide - Thiazolidine - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Ketene acetal or derivatives - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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