Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NN([C@@H]2CC(=O)[C@@H]3OC[C@H]2O3)C(=S)N1C1=CC=CC=C1
InChIKey
InChIKey=CCQGEQHRADNQBZ-YVWKXTFCSA-N
Formula
C21H19N3O4S
Mass
409.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
-
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
Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Oxepanes Oxanes Heteroaromatic compounds 1,3-dioxolanes Ketones Oxacyclic compounds Acetals Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Oxepane - Monocyclic benzene moiety - Oxane - Benzenoid - Meta-dioxolane - Heteroaromatic compound - Ketone - Acetal - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - 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