Structure Information
Structure

Compound Identification

SMILES

FC1=CC=C(C=C1)C1N2C(=O)CCSC2=NC2=C1CCOC1=C2C=CC2=CC=CC=C12

InChIKey

InChIKey=QZVNURAENRHLHH-UHFFFAOYSA-N

Formula

C25H19FN2O2S

Mass

430.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxepine - Naphthalene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - 1,6-dihydropyrimidine - Benzenoid - 1,3-thiazinane - Isothiourea - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).

External Descriptors

Not available

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