Structure Information
Structure

Compound Identification

SMILES

CSC1=CC=CC=C1C(=O)NCC1=NOC(C)=N1

InChIKey

InChIKey=IDLRZZFHPCWPRW-UHFFFAOYSA-N

Formula

C12H13N3O2S

Mass

263.32

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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

O-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoyl - Aryl thioether - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - 1,2,4-oxadiazole - Oxadiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Sulfenyl compound - Azacycle - Thioether - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-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 2, respectively.

External Descriptors

Not available

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