Compound Identification
SMILES
CC1=C2N=CN(CC3=CC=C(C=C3)C3=CC=CC=C3C3=NNN=N3)C2=C(S1)C(O)=O
InChIKey
InChIKey=KFRVSSQQEUYIDP-UHFFFAOYSA-N
Formula
C21H16N6O2S
Mass
416.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Biphenyls and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Phenyltetrazoles and derivatives Thiophene carboxylic acids Thienoimidazoles N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biphenyl - Phenyltetrazole - Thienoimidazole - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - N-substituted imidazole - Azole - Imidazole - Tetrazole - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors
Not available