Compound Identification
SMILES
C[N+](C)(C)CC(O)CSC1=NN=NN1C1=CC=CC=C1
InChIKey
InChIKey=QWACPSRUKIHJJQ-UHFFFAOYSA-N
Formula
C13H20N5OS
Mass
294.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
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
Cholines Alkylarylthioethers Benzene and substituted derivatives Tetraalkylammonium salts Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyltetrazole - Aryl thioether - Choline - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - 1,2-aminoalcohol - Secondary alcohol - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Amine - Organic cation - 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