Structure Information
Structure

Compound Identification

SMILES

CCCC1=CC(C)=C(SC)C=C1C(=O)N=C(N)N

InChIKey

InChIKey=NEFOFKGYKCPRJG-UHFFFAOYSA-N

Formula

C13H19N3OS

Mass

265.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Sulfanylbenzoic acids and derivatives

Direct Parent

M-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

M-sulfanylbenzoic acid or derivatives - Phenylpropane - Toluamide - P-toluamide - Aryl thioether - Thiophenol ether - Benzoyl - Alkylarylthioether - Acylguanidine - Toluene - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Thioether - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.

External Descriptors

Not available

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