Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(S1)C1=C(C#N)C(N)=NC2=C1CCCCCC2)[N+]([O-])=O

InChIKey

InChIKey=FBSYBFQHNSGBNS-UHFFFAOYSA-N

Formula

C17H18N4O2S

Mass

342.42

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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 2,3,5-trisubstituted thiophenes Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-nitrothiophene - Nitroaromatic compound - 2,3,5-trisubstituted thiophene - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organopnictogen compound - Primary amine - Organonitrogen compound - Organic oxide - Organic zwitterion - Amine - Organic nitrogen compound - Organic oxygen compound - 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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