Structure Information
Structure

Compound Identification

SMILES

CC(=O)N1C=C(CN2CCC(CC2)C2=NC(=CS2)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)C2=CC=CC=C12

InChIKey

InChIKey=JWQMJMUMVWAXLC-UHFFFAOYSA-N

Formula

C25H23ClN4O3S

Mass

494.99

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indoles

Intermediate Tree Nodes

Not available

Direct Parent

3-alkylindoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-alkylindole - Nitrobenzene - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Substituted pyrrole - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyrrole - Acetamide - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organochloride - Amine - Organic salt - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.

External Descriptors

Not available

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