Structure Information
Structure

Compound Identification

SMILES

NC1=C(C#N)C(C2=CC=C(Br)O2)C2=C(O1)C1=CC=CC=C1S2

InChIKey

InChIKey=XFDLMTZQPYZPRQ-UHFFFAOYSA-N

Formula

C16H9BrN2O2S

Mass

373.22

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thienopyrans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thienopyrans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzothiophene - 1-benzothiophene - Thienopyran - Aryl bromide - Aryl halide - Pyran - Benzenoid - Furan - Heteroaromatic compound - Thiophene - Ketene acetal or derivatives - Carbonitrile - Nitrile - Oxacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thienopyrans. These are heterocyclic compounds containing a thiophene ring fused to a pyran ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.

External Descriptors

Not available

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