Structure Information
Structure

Compound Identification

SMILES

CCCC1=NN(CC(F)(F)F)C(OCC(=O)N2CCSCC2)=C1CC1=CC=C(C=C1)C1=CC=CC=C1C#N

InChIKey

InChIKey=DIKNNSXUARTFSX-UHFFFAOYSA-N

Formula

C28H29F3N4O2S

Mass

542.62

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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 - Benzonitrile - Alkyl aryl ether - 1,4-thiazinane - Azole - Pyrazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Thioether - Azacycle - Nitrile - Carboxylic acid derivative - Ether - Carbonitrile - Dialkylthioether - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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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