Structure Information
Structure

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

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

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

Previous Back Next