Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NN=C(SCC(=O)C2=C(C)N(CC3CCCO3)C(C)=C2)N1C1=CC(Cl)=C(F)C=C1
InChIKey
InChIKey=HUXCWARETKAGMT-UHFFFAOYSA-N
Formula
C28H28ClFN4O3S
Mass
555.07
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
Phenoxy compounds Methoxybenzenes Anisoles Aryl alkyl ketones Chlorobenzenes Fluorobenzenes Alkyl aryl ethers Alkylarylthioethers Substituted pyrroles Aryl fluorides Aryl chlorides Vinylogous amides Heteroaromatic compounds Oxolanes Sulfenyl compounds Azacyclic compounds Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Phenol ether - Phenoxy compound - Aryl thioether - Anisole - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl halide - Substituted pyrrole - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Oxolane - Pyrrole - Ketone - Thioether - Sulfenyl compound - Oxacycle - Dialkyl ether - Ether - Azacycle - Organosulfur compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen 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