Compound Identification
SMILES
COC1=C(OC)C=C(CCNC(=O)CSC2=NC3=CC=CC=C3C3=NC(=NN23)C2=CC(=CC=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=DKACJTXPAYZTMY-UHFFFAOYSA-N
Formula
C27H24N6O5S
Mass
544.59
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
Quinazolines Dimethoxybenzenes Triazolopyrimidines Nitrobenzenes Phenoxy compounds Anisoles Nitroaromatic compounds Alkyl aryl ethers Alkylarylthioethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Carbonyl compounds Organic salts Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Quinazoline - Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Triazolopyrimidine - Anisole - Phenol ether - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organic salt - 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