Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(NC(=S)NNC2=NCCCCN2)C=C1

InChIKey

InChIKey=JSQAEDUGRUZHSL-UHFFFAOYSA-N

Formula

C12H16ClN5S

Mass

297.81

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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 Thiosemicarbazides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organosulfur compounds Organochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Meta-diazepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiosemicarbazide - Guanidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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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