Structure Information
Structure

Compound Identification

SMILES

CC1=C2C(C3=CC(=CS3)[N+]([O-])=O)C(C#N)=C(N)OC2=NN1

InChIKey

InChIKey=DWDNJJSWGXITJW-UHFFFAOYSA-N

Formula

C12H9N5O3S

Mass

303.3

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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 Pyrazoles Heteroaromatic compounds Ketene acetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-nitrothiophene - Nitroaromatic compound - Azole - Pyrazole - Heteroaromatic compound - Ketene acetal or derivatives - 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 - Oxacycle - Organic zwitterion - Cyanide - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic salt - Organic oxide - Organic oxygen compound - Organonitrogen 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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