Structure Information
Structure

Compound Identification

SMILES

O=C1N(CC2=CN=CC=C2)C(=S)S\C1=C\C1=CC=C(O1)C1=CC=C(C=C1)C#N

InChIKey

InChIKey=ZCIBFWAERDYELC-VXLYETTFSA-N

Formula

C21H13N3O2S2

Mass

403.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzonitrile - Pyridine - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Furan - Thiazolidine - Heteroaromatic compound - Dithiocarbamic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Organoheterocyclic compound - Oxacycle - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Cyanide - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

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