Compound Identification
SMILES
CC(SC1=NN=NN1C1=CC=C(C)C=C1)C(=O)NCCC1=CNC2=C1C=C(Cl)C=C2
InChIKey
InChIKey=JRRFXEGBMOOPTQ-UHFFFAOYSA-N
Formula
C21H21ClN6OS
Mass
440.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
3-alkylindoles Toluenes Alkylarylthioethers Substituted pyrroles Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltetrazole - 3-alkylindole - Indole - Indole or derivatives - Aryl thioether - Toluene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Carbonyl group - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - 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