Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=CC(SC)=C1)C(=O)N1N=NC2=CC=CC=C12

InChIKey

InChIKey=KNBMSSLWODJJEI-UHFFFAOYSA-N

Formula

C15H13N3O2S

Mass

299.35

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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 heteropolycyclic compounds

Substituents

P-sulfanylbenzoic acid or derivatives - Benzotriazole - Phenoxy compound - Aryl thioether - Anisole - Benzoyl - Phenol ether - Thiophenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Azole - Heteroaromatic compound - Triazole - 1,2,3-triazole - Thioether - Ether - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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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