Compound Identification
SMILES
[O-][N+](=O)C1=CN=C(NC(=O)CSC2=NN=NN2C2=CC=C(Cl)C=C2)S1
InChIKey
InChIKey=MHHOCFVVBYIGGN-UHFFFAOYSA-N
Formula
C12H8ClN7O3S2
Mass
397.81
Taxonomic Classification
Taxonomy Tree
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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
Nitrothiazoles Nitroaromatic compounds N-arylamides 2,5-disubstituted thiazoles Alkylarylthioethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyltetrazole - Aryl thioether - Nitroaromatic compound - Nitrothiazole - N-arylamide - 2,5-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiazole - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Organic salt - Organic oxygen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - 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