Compound Identification
SMILES
COC1=CC(OC)=C(NC(=O)CSC2=NN=C(N2C2=CC=C(Cl)C=C2)C2=CC=C(C=C2)C(C)(C)C)C=C1
InChIKey
InChIKey=JXQYBJVKPYKFGI-UHFFFAOYSA-N
Formula
C28H29ClN4O3S
Mass
537.08
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
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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 Phenylpropanes Anilides Methoxyanilines Phenoxy compounds Anisoles N-arylamides Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - M-dimethoxybenzene - Dimethoxybenzene - Phenylpropane - Anilide - Methoxyaniline - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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