Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=CC(SC)=C1)C(=O)N1C=NC2=C1C=C(C)C(C)=C2

InChIKey

InChIKey=ZKOMYGLZUBFGAN-UHFFFAOYSA-N

Formula

C18H18N2O2S

Mass

326.41

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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 - Benzimidazole - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Thiophenol ether - Benzoyl - Methoxybenzene - N-acylimidazole - Alkyl aryl ether - Alkylarylthioether - Imidazole-1-carbonyl group - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Azacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur 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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