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Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(S1)C=NC1=CC=C(CC#N)C=C1

InChIKey

InChIKey=WDXAAVLVYMRZET-UHFFFAOYSA-N

Formula

C13H9N3O2S

Mass

271.29

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzyl cyanides

Intermediate Tree Nodes

Not available

Direct Parent

Benzyl cyanides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzyl-cyanide - 2-nitrothiophene - Nitrothiophene - Nitroaromatic compound - 2,5-disubstituted thiophene - Thiophene - Heteroaromatic compound - C-nitro compound - Shiff base - Organic nitro compound - Aldimine - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Cyanide - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organic salt - Imine - Aromatic heteromonocyclic compound

Description

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

External Descriptors

Not available

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