Compound Identification
SMILES
COC1=C(C=C(C)C=C1)N1C(SCC2=CC(=CC=C2)[N+]([O-])=O)=NN=C1C1=CC=CS1
InChIKey
InChIKey=HGLNRKONQBMTJO-UHFFFAOYSA-N
Formula
C21H18N4O3S2
Mass
438.52
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
-
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 Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Toluenes Alkyl aryl ethers Alkylarylthioethers Thiophenes Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Methoxyaniline - Nitrobenzene - Phenol ether - Phenoxy compound - Methoxybenzene - Aryl thioether - Anisole - Nitroaromatic compound - Toluene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Ether - Azacycle - Organic oxoazanium - Thioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic cation - 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