Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)CSC2=NN=C(CNC(=O)C3=CC=CS3)N2C2=CC=C(C=C2)[N+]([O-])=O)SC2=C1CCCC2
InChIKey
InChIKey=UTMCQWHGNKDGGV-UHFFFAOYSA-N
Formula
C27H26N6O6S3
Mass
626.72
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
Nitrobenzenes Thiophene carboxamides 2-heteroaryl carboxamides N-arylamides Nitroaromatic compounds Alkylarylthioethers Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Nitrobenzene - 2-heteroaryl carboxamide - Aryl thioether - Nitroaromatic compound - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Organic 1,3-dipolar compound - Organic oxoazanium - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic oxide - 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