Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CCC2=C(C1)SC(N=CC1=CC(=CS1)[N+]([O-])=O)=C2C#N

InChIKey

InChIKey=DTLUXXAFUHHKCY-VIFPVBQESA-N

Formula

C15H13N3O2S2

Mass

331.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thiophenes

Subclass

Nitrothiophenes

Intermediate Tree Nodes

Not available

Direct Parent

3-nitrothiophenes

Alternative Parents

Nitroaromatic compounds Heteroaromatic compounds Shiff bases Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-nitrothiophene - Nitroaromatic compound - 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 - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Imine - Organic nitrogen compound - Organic salt - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 3-position.

External Descriptors

Not available

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