Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(C)=CC(C(=O)CSC2=NN=C(N2C2=CC=CC=C2)C2=CC=NC=C2)=C1C
InChIKey
InChIKey=CAYREMKNCOVZJN-UHFFFAOYSA-N
Formula
C28H25N5O2S
Mass
495.6
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrroles
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Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Phenyl-1,2,4-triazoles Pyridyl-1,2,4-triazoles Methoxyanilines Anisoles Aryl alkyl ketones Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Vinylogous amides Heteroaromatic compounds Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - Phenyltriazole - Phenyl-1,2,4-triazole - Pyridyltriazole - Pyridyl-1,2,4-triazole - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Aryl thioether - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Azole - Vinylogous amide - 1,2,4-triazole - Triazole - Ketone - Azacycle - Sulfenyl compound - Ether - Thioether - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available