Compound Identification
SMILES
COC1=C(Cl)C=C(Cl)C=C1C(=O)NC(=S)NNC(=O)C1=CC=CS1
InChIKey
InChIKey=VVQLCQQFZMSFNT-UHFFFAOYSA-N
Formula
C14H11Cl2N3O3S2
Mass
404.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Thiophene carboxamides Phenoxy compounds Methoxybenzenes Dichlorobenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Aryl chlorides Thiosemicarbazides Heteroaromatic compounds Carboxylic acid hydrazides Organosulfur compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 1,3-dichlorobenzene - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Benzoyl - Methoxybenzene - Anisole - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiophene - Thiosemicarbazide - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available