Compound Identification
SMILES
OCC1=CC=C(C=C1)[C@@H]1C[C@H](CSC2=NN=NN2C2=CC=CC=C2)O[C@@H](O1)C1=CC=C(NC(=O)NCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=KVQKRWRQZGNTKW-AYQJTBPPSA-N
Formula
C33H32N6O4S
Mass
608.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Tetrazoles
- Level 5 Phenyltetrazoles and derivatives
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Subclass
Tetrazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Tetrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenyltetrazoles and derivatives
Alternative Parents
N-phenylureas Benzyl alcohols Alkylarylthioethers 1,3-dioxanes Heteroaromatic compounds Ureas Sulfenyl compounds Oxacyclic compounds Acetals Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Aromatic alcohols Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyltetrazole - N-phenylurea - Aryl thioether - Benzyl alcohol - Alkylarylthioether - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Urea - Oxacycle - Azacycle - Sulfenyl compound - Acetal - Thioether - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Alcohol - Aromatic alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
External Descriptors
Not available