Structure Information
Structure

Compound Identification

SMILES

CC1(C)CNC2=C(SC3=C2C=C(C=C3)[N+]([O-])=O)C(=O)N1

InChIKey

InChIKey=AZFLFGDFFONRQP-UHFFFAOYSA-N

Formula

C13H13N3O3S

Mass

291.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thienodiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Thienodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Thieno-para-diazepine - 1-benzothiophene - Benzothiophene - 2-heteroaryl carboxamide - Nitroaromatic compound - Para-diazepine - Secondary aliphatic/aromatic amine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Lactam - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thienodiazepines. These are heteropolycyclic containing a thiophene ring fused to a diazepine ring. Thiophene is 5-membered ring consisting of four carbon and one sulfur atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.

External Descriptors

Not available

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