Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.CC[N+]1=C(C)SC2=C1C1=CC=CC=C1C=C2
InChIKey
InChIKey=KTTNCJKZKIRUTI-UHFFFAOYSA-M
Formula
C21H21NO3S2
Mass
399.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Naphthothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Naphthothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthothiazoles
Alternative Parents
p-Methylbenzenesulfonates Tosyl compounds Naphthalenes Benzothiazoles Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Thiazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Naphthothiazole - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonate - Naphthalene - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - 1,3-benzothiazole - Arylsulfonic acid or derivatives - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthothiazoles. These are polycyclic aromatic compounds containing a thiazole fused to a naphthalene. Thiazole is a 5-membered aromatic ring containing three carbon, one oxygen, and one nitrogen atom. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
External Descriptors
Not available