Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C1=NN=C2SC(=CC3=CC(OC)=C(OC)C=C3)C(=O)N12
InChIKey
InChIKey=MDXZHIKGPJWHCL-UHFFFAOYSA-N
Formula
C22H21N3O6S
Mass
455.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
-
Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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Level 5
Phenyltriazoles
-
Subclass
Triazoles
-
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 Triazolothiazoles Phenoxy compounds Anisoles Alkyl aryl ethers Thiazoles Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Triazolothiazole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiazole - Lactam - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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