Structure Information
Structure

Compound Identification

SMILES

NC(CSC(CC1=CNC2=CC=CC=C12)=NO)C(O)=O

InChIKey

InChIKey=GREVXYZKHGJYAU-UHFFFAOYSA-N

Formula

C13H15N3O3S

Mass

293.34

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Thiohydroximic acids and derivatives

Subclass

Thiohydroximic acids

Intermediate Tree Nodes

Not available

Direct Parent

S-alkyl-thiohydroximates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

S-alkyl-thiohydroximate - Cysteine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Sulfenyl compound - Organic oxide - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as s-alkyl-thiohydroximates. These are organosulfur compounds with the general structure RC(S)=NOH, where R =alkyl group.

External Descriptors

META CYC (CPD-7547) : a small molecule

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