Compound Identification
SMILES
COc1ccc(NC(=S)Nc2c(C#N)c(cn2-c2ccc(cc2)S(N)(=O)=O)-c2ccc(Br)cc2)cc1
InChIKey
InChIKey=SARWKQZHFVAKFF-UHFFFAOYSA-N
Formula
C25H20BrN5O3S2
Mass
582.49
Taxonomic Classification
Taxonomy Tree
-
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
Benzenesulfonamides N-phenylthioureas Benzenesulfonyl compounds Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Thioureas Nitriles Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyrrole - 1-phenylpyrrole - Benzenesulfonamide - N-phenylthiourea - Methoxyaniline - Benzenesulfonyl group - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Halobenzene - Alkyl aryl ether - Bromobenzene - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Thiourea - Azacycle - Ether - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organohalogen compound - Organobromide - 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