Structure Information
Structure

Compound Identification

SMILES

CC1=CC2=C(C=C1Cl)N=C(NC(=S)NC(=O)C=CC1=CC(=CC=C1)[N+]([O-])=O)S2

InChIKey

InChIKey=YDRYMWYLJZLGRA-UHFFFAOYSA-N

Formula

C18H13ClN4O3S2

Mass

432.9

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Nitroaromatic compound - Styrene - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - C-nitro compound - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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