Compound Identification
SMILES
CN1C(N)=N[C@]2(CN(CC2C1=O)C1=CN=CC=C1)C1=CC(=CS1)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=REEOECHETGDQLU-BVHINDKJSA-N
Formula
C23H20N6OS
Mass
428.51
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
Dialkylarylamines Aminopyridines and derivatives Aralkylamines Hydropyrimidines Thiophenes Pyrrolidines Heteroaromatic compounds Amino acids and derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidamides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzonitrile - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Aralkylamine - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyridine - Heteroaromatic compound - Pyrrolidine - Thiophene - Guanidine - Amino acid or derivatives - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Cyanide - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Amine - Organooxygen compound - Organic oxygen compound - 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