Structure Information
Structure

Compound Identification

SMILES

ClC1=CC(NC(=O)COC2(CCN(CC3=CSC4=CC=CC=C34)CC2)C2=CC=C(C=C2)C2=CC=CC(=C2)C#N)=CC(Cl)=C1

InChIKey

InChIKey=MMBUEJFKNQPBGH-UHFFFAOYSA-N

Formula

C35H29Cl2N3O2S

Mass

626.6

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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 - Phenylpiperidine - Anilide - Benzylether - Benzothiophene - 1-benzothiophene - 1,3-dichlorobenzene - N-arylamide - Benzonitrile - Halobenzene - Aralkylamine - Chlorobenzene - Aryl chloride - Piperidine - Aryl halide - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organonitrogen compound - Organic oxygen compound - Organochloride - Cyanide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - 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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