Compound Identification
SMILES
CCNC(=S)NNC(=O)C1=CC=C(CN2C=C(C=N2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=ZDKRRLAIAQSZNM-UHFFFAOYSA-N
Formula
C14H16N6O3S
Mass
348.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Nitroaromatic compounds Benzoyl derivatives Thiosemicarbazides Pyrazoles Heteroaromatic compounds Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organosulfur compounds Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Azole - Pyrazole - Heteroaromatic compound - Thiosemicarbazide - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available