Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.COC1=CC=C(C=C1)C1=CN=C(O1)C1=CC=[N+](CCOC2=CC=C(C=C2)N=C=S)C=C1
InChIKey
InChIKey=AVQZDVMXRPILBE-UHFFFAOYSA-M
Formula
C31H27N3O6S2
Mass
601.69
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
Oxazoles
- Level 5 Phenyl-1,3-oxazoles
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Subclass
Oxazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenyl-1,3-oxazoles
Alternative Parents
p-Methylbenzenesulfonates Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Anisoles Methoxybenzenes Phenoxy compounds 2,5-disubstituted oxazoles Alkyl aryl ethers Pyridinium derivatives Organosulfonic acids Heteroaromatic compounds Sulfonyls Isothiocyanates Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Phenyl-1,3-oxazole - Benzenesulfonate - Tosyl compound - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Toluene - 2,5-disubstituted 1,3-oxazole - Alkyl aryl ether - Pyridinium - Monocyclic benzene moiety - Benzenoid - Pyridine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid - Heteroaromatic compound - Sulfonyl - Isothiocyanate - Oxacycle - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
External Descriptors
Not available