Compound Identification
SMILES
CC1=CC(NC(=S)C2=C(C3=C4N(CCCC3)N=C(N24)C2=CC=C(Br)C=C2)C2=CC=C(OC(F)F)C=C2)=CC=C1
InChIKey
InChIKey=BTDCFFNMECVKGP-UHFFFAOYSA-N
Formula
C30H25BrF2N4OS
Mass
607.52
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 Pyrroloazepines Phenol ethers Phenoxy compounds Azepines Bromobenzenes Toluenes Aryl bromides Heteroaromatic compounds Thioamides Azacyclic compounds Thiocarboxylic acid amides Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides Thiocarbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrole - Phenyltriazole - Phenyl-1,2,4-triazole - Pyrroloazepine - Phenoxy compound - Phenol ether - Azepine - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thioamide - Triazole - 1,2,4-triazole - Heteroaromatic compound - Azole - Thiocarboxylic acid amide - Azacycle - Alkyl halide - Organofluoride - Organobromide - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Thiocarbonyl group - Alkyl fluoride - Aromatic heteropolycyclic 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