Structure Information
Structure

Compound Identification

SMILES

CCCSC1=NSC2=C(C=C(C=C2)C(O)=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C#N

InChIKey

InChIKey=VKGROPPEDSSHQL-UHFFFAOYSA-N

Formula

C25H21N3O2S2

Mass

459.58

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Biphenyls and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Biphenylcarbonitriles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Biphenylcarbonitrile - Benzothiadiazine - Benzonitrile - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Cyanide - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.

External Descriptors

Not available

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