Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(SC1=NC(OC2=CC=C(C=C2)C2=CC=CC(=C2)C#N)=CC(Cl)=N1)C1=CC=CC=C1

InChIKey

InChIKey=FJQIJJIKBFMBNB-UHFFFAOYSA-N

Formula

C27H20ClN3O3S

Mass

501.99

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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 heteromonocyclic compounds

Substituents

Biphenylcarbonitrile - Diaryl ether - Phenoxy compound - Aryl thioether - Benzonitrile - Phenol ether - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Sulfenyl compound - Thioether - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic 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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