Compound Identification
SMILES
COC1=CC(N2C(CNC(=O)C3=CC(=C(C)C=C3)[N+]([O-])=O)=NN=C2SCC(=O)NC2=NC3=CC=CC=C3S2)=C(OC)C=C1
InChIKey
InChIKey=LWDOUXTXBHYCCJ-UHFFFAOYSA-N
Formula
C28H25N7O6S2
Mass
619.67
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
-
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
Dimethoxybenzenes p-Toluamides Benzamides Benzothiazoles Methoxyanilines Nitrobenzenes Nitrotoluenes Anisoles Benzoyl derivatives N-arylamides Nitroaromatic compounds Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Thiazoles Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic oxides Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Dimethoxybenzene - P-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Methoxyaniline - P-toluamide - Toluamide - Nitrotoluene - Anisole - Phenoxy compound - Aryl thioether - Benzoyl - Nitroaromatic compound - Phenol ether - N-arylamide - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Sulfenyl compound - Azacycle - Organic oxoazanium - Thioether - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - 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