Compound Identification
SMILES
CC1=CC=CC(C)=C1NCC1=NN=C(SCC(=O)NC2=CC(=C(C)C=C2)[N+]([O-])=O)N1C1=CC=CC=C1
InChIKey
InChIKey=SMPICFFSEPANDW-UHFFFAOYSA-N
Formula
C26H26N6O3S
Mass
502.59
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
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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 Aniline and substituted anilines N-arylamides Nitroaromatic compounds Phenylalkylamines Alkylarylthioethers Secondary alkylarylamines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Organic oxoazanium compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Nitrobenzene - Anilide - Nitrotoluene - Aniline or substituted anilines - Aryl thioether - Nitroaromatic compound - Phenylalkylamine - M-xylene - Xylene - N-arylamide - Alkylarylthioether - Aralkylamine - Secondary aliphatic/aromatic amine - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Azacycle - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid derivative - Organic oxoazanium - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Amine - Organic zwitterion - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - 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