Compound Identification
SMILES
COC1=C(OC)C=C(CCN(C)C(=O)CCCSC2=NN=C(CC3=CC=CC=C3)N2C2=CC=C(C)C=C2)C=C1
InChIKey
InChIKey=JZUDEMNXZQVDCB-UHFFFAOYSA-N
Formula
C31H36N4O3S
Mass
544.71
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Triazoles
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Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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Level 5
Phenyltriazoles
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Subclass
Triazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Dimethoxybenzenes Phenoxy compounds Anisoles Toluenes Alkylarylthioethers Alkyl aryl ethers N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - N-acyl-amine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors
Not available