Structure Information
Structure

Compound Identification

SMILES

CN1C(=O)C(C#N)=C(C)C(\C=C2/SC(=S)N(CC3=CC=C(F)C=C3)C2=O)=C1N1CCSCC1

InChIKey

InChIKey=ROFDUSUOJJXRAZ-ODLFYWEKSA-N

Formula

C23H21FN4O2S3

Mass

500.63

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridines and derivatives

Subclass

3-pyridinecarbonitriles

Intermediate Tree Nodes

Not available

Direct Parent

3-pyridinecarbonitriles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-pyridinecarbonitrile - Dialkylarylamine - Aminopyridine - Dihydropyridine - Methylpyridine - Fluorobenzene - Halobenzene - Pyridinone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Thiazolidinethione - Benzenoid - 1,4-thiazinane - Cyclic dithiocarbamic acid ester - Heteroaromatic compound - Dithiocarbamic acid ester - Thiazolidine - Lactam - Thioether - Dialkylthioether - Carboxylic acid derivative - Azacycle - Nitrile - Carbonitrile - Organosulfur compound - Organohalogen compound - Organofluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Carbonyl group - Cyanide - Organic oxygen compound - Amine - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group.

External Descriptors

Not available

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