Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CNNC(=O)C2=C(CSC3=NCCS3)N(N=N2)C2=NON=C2N)C=C(Br)C1=O

InChIKey

InChIKey=XFMWQQJDMBHKML-UHFFFAOYSA-N

Formula

C17H16BrN9O4S2

Mass

554.4

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

Aromatic heteromonocyclic compounds

Substituents

P-quinomethane - Primary aromatic amine - Imidolactam - Alpha-haloketone - Azole - Furazan - Heteroaromatic compound - Oxadiazole - Meta-thiazoline - 1,2,3-triazole - Vinylogous amide - Amino acid or derivatives - Carboxylic acid hydrazide - Carboxylic acid derivative - Oxacycle - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl bromide - Vinyl halide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organosulfur compound - Amine - Organic nitrogen compound - Primary amine - Organopnictogen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic 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