Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)CSC2=NN=C(CNC(=O)C3=CC(=C(C)C=C3)[N+]([O-])=O)N2C2=CC=CC(C)=C2)SC2=C1CCCC2
InChIKey
InChIKey=NNCCDUISGPLUNP-UHFFFAOYSA-N
Formula
C31H32N6O6S2
Mass
648.75
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
p-Toluamides Benzamides Nitrobenzenes Nitrotoluenes Thiophene carboxylic acids and derivatives Benzoyl derivatives N-arylamides Nitroaromatic compounds Alkylarylthioethers Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitrotoluene - Toluamide - P-toluamide - Aryl thioether - Nitroaromatic compound - Benzoyl - Thiophene carboxylic acid or derivatives - N-arylamide - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organic salt - Organic nitrogen 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