Structure Information
Structure

Compound Identification

SMILES

CCN1C(S[C@@H](C)C(O)=O)=NNC1=C1C=CC(=O)C=C1

InChIKey

InChIKey=MHGCJKKOTITLNM-QMMMGPOBSA-N

Formula

C13H15N3O3S

Mass

293.34

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinomethanes

Direct Parent

P-quinomethanes

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

P-quinomethane - Heterocyclic fatty acid - Fatty acyl - Triazoline - Ketene acetal or derivatives - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Monocarboxylic acid or derivatives - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.

External Descriptors

Not available

Previous Back Next