Compound Identification
SMILES
CC1=C(NC(=O)CSC2=NN=NN2C2=CC=C(Br)C=C2)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=MHZOFUDMGRFHJY-UHFFFAOYSA-N
Formula
C16H13BrN6O3S
Mass
449.28
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
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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
Anilides Nitrotoluenes Nitrobenzenes Nitroaromatic compounds N-arylamides Alkylarylthioethers Bromobenzenes Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyltetrazole - Nitrobenzene - Anilide - Nitrotoluene - Aryl thioether - Nitroaromatic compound - N-arylamide - Bromobenzene - Halobenzene - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Benzenoid - Heteroaromatic compound - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Thioether - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Organic zwitterion - 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