Compound Identification
SMILES
CC1C2(OC(=N)C1(C#N)C(C#N)(C#N)C(O2)C1=CC=C(C)S1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=RSCHOBUXHLXJMN-UHFFFAOYSA-N
Formula
C21H15ClN4O2S
Mass
422.89
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Dioxepanes
- Subclass 1,3-dioxepanes
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Class
Dioxepanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxepanes
Subclass
1,3-dioxepanes
Intermediate Tree Nodes
Not available
Direct Parent
1,3-dioxepanes
Alternative Parents
Ketals Chlorobenzenes 2,5-disubstituted thiophenes Oxanes Aryl chlorides Oxolanes Heteroaromatic compounds Imidoesters Oxacyclic compounds Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-dioxepane - Ketal - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Oxane - Benzenoid - Heteroaromatic compound - Oxolane - Thiophene - Imido ester - Nitrile - Carbonitrile - Oxacycle - Acetal - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 3, respectively.
External Descriptors
Not available