Structure Information
Structure

Compound Identification

SMILES

CN1CC=C2C(C1)C(C1=C(Cl)C=C(Cl)C=C1)C(C#N)(C#N)C(NC(=S)NC(=O)C1=CC=CC=C1)=C2C#N

InChIKey

InChIKey=NBEMNJSDXJMLLW-UHFFFAOYSA-N

Formula

C27H20Cl2N6OS

Mass

547.46

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Amino acid or derivatives - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.

External Descriptors

Not available

Previous Back Next