Compound Identification
SMILES
O=C1N(CC2=CC=CC=C2)S(=O)(=O)N(CC2=CC=C(C=C2)C#N)C2=CC=CC=C12
InChIKey
InChIKey=VXILSZMOXKJFRU-UHFFFAOYSA-N
Formula
C22H17N3O3S
Mass
403.46
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
Vinylogous amides Organic sulfuric acids and derivatives Nitriles Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzonitrile - Organic sulfuric acid or derivatives - Vinylogous amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic 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