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Details

Stereochemistry ACHIRAL
Molecular Formula C19H23ClN2O3S
Molecular Weight 394.916
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-TERT-BUTYL-5-(4-(1-CARBOXY-1-METHYLETHYL)BENZYLTHIO)-4-CHLOROPYRIDAZIN-3(2H)-ONE

SMILES

CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C(O)=O)=C(Cl)C1=O

InChI

InChIKey=NJUKOAUUDPMBRV-UHFFFAOYSA-N
InChI=1S/C19H23ClN2O3S/c1-18(2,3)22-16(23)15(20)14(10-21-22)26-11-12-6-8-13(9-7-12)19(4,5)17(24)25/h6-10H,11H2,1-5H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C19H23ClN2O3S
Molecular Weight 394.916
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:17:40 GMT 2025
Edited
by admin
on Tue Apr 01 20:17:40 GMT 2025
Record UNII
49YB5VDJ7P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-((1-TERT-BUTYL-5-CHLORO-6-OXOPYRIDAZIN-4-YL)SULFANYLMETHYL)PHENYL)-2-METHYLPROPANOIC ACID
Preferred Name English
2-TERT-BUTYL-5-(4-(1-CARBOXY-1-METHYLETHYL)BENZYLTHIO)-4-CHLOROPYRIDAZIN-3(2H)-ONE
Systematic Name English
4-(((5-CHLORO-1-(1,1-DIMETHYLETHYL)-1,6-DIHYDRO-6-OXO-4-PYRIDAZINYL)THIO)METHYL)-.ALPHA.,.ALPHA.-DIMETHYLBENZENEACETIC ACID
Systematic Name English
BENZENEACETIC ACID, 4-(((5-CHLORO-1-(1,1-DIMETHYLETHYL)-1,6-DIHYDRO-6-OXO-4-PYRIDAZINYL)THIO)METHYL)-.ALPHA.,.ALPHA.-DIMETHYL-
Systematic Name English
Code System Code Type Description
CAS
118910-83-1
Created by admin on Tue Apr 01 20:17:40 GMT 2025 , Edited by admin on Tue Apr 01 20:17:40 GMT 2025
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PUBCHEM
14372649
Created by admin on Tue Apr 01 20:17:40 GMT 2025 , Edited by admin on Tue Apr 01 20:17:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID201349594
Created by admin on Tue Apr 01 20:17:40 GMT 2025 , Edited by admin on Tue Apr 01 20:17:40 GMT 2025
PRIMARY
FDA UNII
49YB5VDJ7P
Created by admin on Tue Apr 01 20:17:40 GMT 2025 , Edited by admin on Tue Apr 01 20:17:40 GMT 2025
PRIMARY