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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19N3O2S
Molecular Weight 341.427
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 3-Allyl-5-[(3-ethyl-2-benzoxazolylidene)ethylidene]-1-methyl-2-thiohydantoin

SMILES

CCN1\C(OC2=CC=CC=C12)=C\C=C3/N(C)C(=S)N(CC=C)C3=O

InChI

InChIKey=NQIIEHSSQQTWHL-JBBFUIBGSA-N
InChI=1S/C18H19N3O2S/c1-4-12-21-17(22)14(19(3)18(21)24)10-11-16-20(5-2)13-8-6-7-9-15(13)23-16/h4,6-11H,1,5,12H2,2-3H3/b14-10-,16-11-

HIDE SMILES / InChI

Molecular Formula C18H19N3O2S
Molecular Weight 341.427
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:44:05 GMT 2023
Edited
by admin
on Sat Dec 16 12:44:05 GMT 2023
Record UNII
7GV8ZL947U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Allyl-5-[(3-ethyl-2-benzoxazolylidene)ethylidene]-1-methyl-2-thiohydantoin
Systematic Name English
4-Imidazolidinone, 5-[2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-1-methyl-3-(2-propen-1-yl)-2-thioxo-
Systematic Name English
5-[2-(3-Ethyl-2-benzoxazolylidene)ethylidene]-3-allyl-1-methyl-2-thiohydantoin
Systematic Name English
5-[2-(3-Ethyl-2(3H)-benzoxazolylidene)ethylidene]-1-methyl-3-(2-propen-1-yl)-2-thioxo-4-imidazolidinone
Systematic Name English
Code System Code Type Description
FDA UNII
7GV8ZL947U
Created by admin on Sat Dec 16 12:44:05 GMT 2023 , Edited by admin on Sat Dec 16 12:44:05 GMT 2023
PRIMARY
ECHA (EC/EINECS)
255-418-8
Created by admin on Sat Dec 16 12:44:05 GMT 2023 , Edited by admin on Sat Dec 16 12:44:05 GMT 2023
PRIMARY
PUBCHEM
6441635
Created by admin on Sat Dec 16 12:44:05 GMT 2023 , Edited by admin on Sat Dec 16 12:44:05 GMT 2023
PRIMARY
CAS
41504-42-1
Created by admin on Sat Dec 16 12:44:05 GMT 2023 , Edited by admin on Sat Dec 16 12:44:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID9068322
Created by admin on Sat Dec 16 12:44:05 GMT 2023 , Edited by admin on Sat Dec 16 12:44:05 GMT 2023
PRIMARY