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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10N4O2S
Molecular Weight 274.298
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-BENZYL-2-MERCAPTO-1H-IMIDAZO(4,5-D)PYRIDAZINE-4,7-DIOL

SMILES

O=C1NNC(=O)C2=C1NC(=S)N2CC3=CC=CC=C3

InChI

InChIKey=UOKDZZRHBUPEQL-UHFFFAOYSA-N
InChI=1S/C12H10N4O2S/c17-10-8-9(11(18)15-14-10)16(12(19)13-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,19)(H,14,17)(H,15,18)

HIDE SMILES / InChI

Molecular Formula C12H10N4O2S
Molecular Weight 274.298
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 20:11:35 GMT 2025
Edited
by admin
on Tue Apr 01 20:11:35 GMT 2025
Record UNII
G3UL61S8MR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-12131
Preferred Name English
1-BENZYL-2-MERCAPTO-1H-IMIDAZO(4,5-D)PYRIDAZINE-4,7-DIOL
Systematic Name English
1H-IMIDAZO(4,5-D)PYRIDAZINE-4,7-DIONE, 2,3,5,6-TETRAHYDRO-1-(PHENYLMETHYL)-2-THIOXO-
Systematic Name English
1H-IMIDAZO(4,5-D)PYRIDAZINE-4,7-DIOL, 1-BENZYL-2-MERCAPTO-
Systematic Name English
Code System Code Type Description
CAS
3438-72-0
Created by admin on Tue Apr 01 20:11:35 GMT 2025 , Edited by admin on Tue Apr 01 20:11:35 GMT 2025
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FDA UNII
G3UL61S8MR
Created by admin on Tue Apr 01 20:11:35 GMT 2025 , Edited by admin on Tue Apr 01 20:11:35 GMT 2025
PRIMARY
NSC
12131
Created by admin on Tue Apr 01 20:11:35 GMT 2025 , Edited by admin on Tue Apr 01 20:11:35 GMT 2025
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PUBCHEM
3001343
Created by admin on Tue Apr 01 20:11:35 GMT 2025 , Edited by admin on Tue Apr 01 20:11:35 GMT 2025
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EPA CompTox
DTXSID10187952
Created by admin on Tue Apr 01 20:11:35 GMT 2025 , Edited by admin on Tue Apr 01 20:11:35 GMT 2025
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