Compound Identification
SMILES
CC(C)(C)C1=CC=C(C=C1)C1=NN2C(SC(=CC3=CC=C(C=C3)[N+]([O-])=O)C2=O)=N1
InChIKey
InChIKey=OHBORPNGEGNLRB-UHFFFAOYSA-N
Formula
C21H18N4O3S
Mass
406.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
-
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
Nitrobenzenes Phenylpropanes Nitroaromatic compounds Triazolothiazoles Heteroaromatic compounds Thiazoles Lactams Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Triazolothiazole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiazole - Lactam - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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