Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C2SC(=CC3=C(C)N(C(C)=C3)C3=CC=C(Br)C=C3)C(=O)N2C1C1=CC=C(C=C1)N(C)C
InChIKey
InChIKey=VSDSYIHYSXVOTR-UHFFFAOYSA-N
Formula
C31H31BrN4O3S
Mass
619.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
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
Aniline and substituted anilines Dialkylarylamines Bromobenzenes Aryl bromides Thiazoles Enoate esters Heteroaromatic compounds Amino acids and derivatives Isothioureas Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organobromides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Thiazole - Enoate ester - Isothiourea - Amino acid or derivatives - Lactam - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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