Structure Information
Structure

Compound Identification

SMILES

OC(CCSC1=CC=CC=C1)CN1C=CN=C1[N+]([O-])=O

InChIKey

InChIKey=XVWLIMXKYCFAFU-UHFFFAOYSA-N

Formula

C13H15N3O3S

Mass

293.34

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organosulfur compounds

Class

Thioethers

Subclass

Aryl thioethers

Intermediate Tree Nodes

Not available

Direct Parent

Aryl thioethers

Alternative Parents

Thiophenol ethers Nitroaromatic compounds Alkylarylthioethers Benzene and substituted derivatives N-substituted imidazoles Heteroaromatic compounds Secondary alcohols Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organic oxides Organonitrogen compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Secondary alcohol - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Sulfenyl compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Alcohol - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.

External Descriptors

Not available

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