Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NN(C(C1)C1=C(OC)C(OC)=CC=C1)C(=O)CSC1=NN=C(CNC(=O)C2=CC(F)=CC=C2)N1C1=CC=CC=C1
InChIKey
InChIKey=AFFXVJRJZCQFEM-UHFFFAOYSA-N
Formula
C36H33FN6O5S
Mass
680.76
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
3-halobenzoic acids and derivatives Dimethoxybenzenes Benzamides Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes Aryl fluorides Pyrazolines Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aryl thioether - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Pyrazoline - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Ether - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organofluoride - Hydrocarbon derivative - Organohalogen compound - 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