Structure Information
Structure

Compound Identification

SMILES

CSC1=C(C=C(C(=O)N=C(N)N)C(C)=C1)S(C)(=O)=O

InChIKey

InChIKey=GVLUXMDSOLPHPV-UHFFFAOYSA-N

Formula

C11H15N3O3S2

Mass

301.38

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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

P-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as p-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 4, respectively.

External Descriptors

Not available

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