Structure Information
Structure

Compound Identification

SMILES

Br.ClC1=CC=C(C=C1)C1=CSC2=NCCCCN12

InChIKey

InChIKey=ASUNNHFWFXECRB-UHFFFAOYSA-N

Formula

C13H14BrClN2S

Mass

345.68

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazepines

Subclass

1,3-diazepines

Intermediate Tree Nodes

Not available

Direct Parent

1,3-diazepines

Alternative Parents

Chlorobenzenes Aryl chlorides Thiazolines Thiazoles Isothioureas Propargyl-type 1,3-dipolar organic compounds Enamines Carboximidamides Azacyclic compounds Organochlorides Hydrocarbon derivatives Hydrobromides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Meta-diazepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Meta-thiazoline - Thiazole - Isothiourea - Carboximidamide - Azacycle - Enamine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Hydrobromide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,3-diazepines. These are organic compounds containing 1,3-diazepine, a seven-member heterocyclic ring with two nitrogen atoms in positions 1 and 3.

External Descriptors

Not available

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