Compound Identification
SMILES
CCCCOC1=CC=C(C=C1)C(=O)NCC1=NN=C(SCC2=CC=CC(C)=C2)N1C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=XNKAWIIFLPRYCS-UHFFFAOYSA-N
Formula
C28H29N5O4S
Mass
531.63
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
Benzamides Nitrobenzenes Phenoxy compounds Phenol ethers Benzoyl derivatives Nitroaromatic compounds Toluenes Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Benzoyl - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Thioether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Ether - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic salt - Organic zwitterion - 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