Structure Information
Structure

Compound Identification

SMILES

O=C(C(C#N)S(=O)(=O)C1=CC=CC=C1)C1=NOC2=C1CSC1=CC=CC=C21

InChIKey

InChIKey=CJRHFMHYEKATTK-UHFFFAOYSA-N

Formula

C19H12N2O4S2

Mass

396.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiopyrans

Subclass

1-benzothiopyrans

Intermediate Tree Nodes

Not available

Direct Parent

1-benzothiopyrans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzenesulfonyl group - 1-benzothiopyran - Aryl ketone - Aryl alkyl ketone - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Isoxazole - Sulfone - Sulfonyl - Azole - Heteroaromatic compound - Ketone - Thioether - Nitrile - Carbonitrile - Azacycle - Oxacycle - Organic nitrogen compound - Organic oxide - Cyanide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-benzothiopyrans. These are organic aromatic compounds that 1-benzothiopyran, a bicyclic compound made up of a benzene ring fused to a thiopyran, so that the sulfur atom is at the 1-position.

External Descriptors

Not available

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