Compound Identification
SMILES
COC1=CC(C=NNC(=O)CSC2=NN=C(CNC3=C(C)C=C(I)C=C3)N2C2=CC=CC=C2)=CC(OC)=C1OC
InChIKey
InChIKey=NJBXXGKZLRILCC-UHFFFAOYSA-N
Formula
C28H29IN6O4S
Mass
672.54
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
Phenylalkylamines Phenoxy compounds Methoxybenzenes Aminotoluenes Aniline and substituted anilines Anisoles Secondary alkylarylamines Alkyl aryl ethers Alkylarylthioethers Iodobenzenes Aryl iodides Heteroaromatic compounds Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Methoxybenzene - Anisole - Aryl thioether - Phenoxy compound - Halobenzene - Toluene - Iodobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Sulfenyl compound - Thioether - Secondary amine - Organopnictogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Organosulfur 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