Compound Identification
SMILES
CC1=CC(C)=C(N2N=NN([C@@H]3CC(=O)[C@H]4OC[C@@H]3O4)C2=S)C(C)=C1
InChIKey
InChIKey=ZILGJTVKUBMBFG-ZLDLUXBVSA-N
Formula
C16H18N4O3S
Mass
346.41
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
Oxepanes Oxanes Benzene and substituted derivatives Heteroaromatic compounds 1,3-dioxolanes Ketones Oxacyclic compounds Azacyclic compounds Acetals Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltetrazole - Oxepane - Monocyclic benzene moiety - Oxane - Benzenoid - Meta-dioxolane - Heteroaromatic compound - Ketone - Azacycle - Oxacycle - Acetal - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic 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