Structure Information
Structure

Compound Identification

SMILES

CN(C)CC1=CC=C(CSCCNC2=C(C=CC=N2)[N+]([O-])=O)O1

InChIKey

InChIKey=ATVGNKXELOXTEJ-UHFFFAOYSA-N

Formula

C15H20N4O3S

Mass

336.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic 1,3-dipolar compounds

Class

Allyl-type 1,3-dipolar organic compounds

Subclass

Organic nitro compounds

Intermediate Tree Nodes

C-nitro compounds

Direct Parent

Nitroaromatic compounds

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - Aminopyridine - Aralkylamine - Pyridine - Imidolactam - Furan - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Organic oxoazanium - Thioether - Oxacycle - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Dialkylthioether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Amine - Organonitrogen compound - Organic salt - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.

External Descriptors

Not available

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