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Structure Information
Structure

Compound Identification

SMILES

N#CCC1=CC=C(C=C1)N=CC1=CC=C(OC2CSC2)C=C1

InChIKey

InChIKey=NGUCUZTZUWFCAZ-UHFFFAOYSA-N

Formula

C18H16N2OS

Mass

308.4

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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 - Phenoxy compound - Phenol ether - Alkyl aryl ether - Shiff base - Thietane - Aldimine - Ether - Carbonitrile - Nitrile - Organoheterocyclic compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Imine - Organic oxygen compound - Organonitrogen compound - 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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