Compound Identification
SMILES
CC1=CC=C(C=C1)N1C(COC2=C(C)C=CC=C2C)=NN=C1SCC(=O)NC1=CC(=C(C)C=C1)[N+]([O-])=O
InChIKey
InChIKey=HEGUCPMVNYIVFX-UHFFFAOYSA-N
Formula
C27H27N5O4S
Mass
517.6
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
Anilides Nitrobenzenes Nitrotoluenes m-Xylenes N-arylamides Nitroaromatic compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Nitrobenzene - Anilide - Nitrotoluene - Phenol ether - N-arylamide - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Xylene - M-xylene - Alkylarylthioether - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Sulfenyl compound - Ether - Thioether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - 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