Compound Identification
SMILES
COC1=C(OC(=O)C2=CSC(=N2)C2=CC=C(C=C2)C(C)C)C=CC(=C1)C#N
InChIKey
InChIKey=UIBUHGKBWJCWDX-UHFFFAOYSA-N
Formula
C21H18N2O3S
Mass
378.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Monoterpenoids
- Level 5 Aromatic monoterpenoids
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Subclass
Monoterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Aromatic monoterpenoids
Alternative Parents
Phenol esters Monocyclic monoterpenoids Phenylpropanes Cumenes Thiazolecarboxylic acids and derivatives Phenoxy compounds Methoxybenzenes Benzonitriles Anisoles 2,4-disubstituted thiazoles Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Phenol ester - Cumene - Phenylpropane - Anisole - Phenoxy compound - Benzonitrile - Phenol ether - Thiazolecarboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
External Descriptors
Not available