Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@@H](C[N+]([O-])=O)[C@H]1CSC2=CC=CC=C2C1=C(C#N)C#N

InChIKey

InChIKey=LPHJZUIZVLDDCU-HUUCEWRRSA-N

Formula

C17H17N3O2S

Mass

327.4

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Monoterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Bicyclic monoterpenoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aromatic monoterpenoid - Bicyclic monoterpenoid - Thiochromane - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Alkylarylthioether - Thiopyran - Benzenoid - C-nitro compound - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Thioether - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Organic oxygen compound - Organonitrogen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.

External Descriptors

Not available

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