Structure Information
Structure

Compound Identification

SMILES

NCCCOC1=C(CNCC2=CC=CC(CN=C(N)N)=C2)C=C(C=C1)C1=CC2=CC=CC=C2S1

InChIKey

InChIKey=CJLKBJBTUTUECU-UHFFFAOYSA-N

Formula

C27H31N5OS

Mass

473.64

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiophenes

Subclass

1-benzothiophenes

Intermediate Tree Nodes

Not available

Direct Parent

1-benzothiophenes

Alternative Parents

Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines 2,3,5-trisubstituted thiophenes Aralkylamines Alkyl aryl ethers Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Dialkylamines Carboximidamides Monoalkylamines Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Guanidine - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Secondary aliphatic amine - Carboximidamide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.

External Descriptors

Not available

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