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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 4-[(1-methyl-5-nitroimidazol-2-yl)methylsulfanyl]benzonitrile

SMILES

CN1C(CSC2=CC=C(C=C2)C#N)=NC=C1[N+]([O-])=O

InChI

InChIKey=QRJJJOHYJNDPRS-UHFFFAOYSA-N
InChI=1S/C12H10N4O2S/c1-15-11(14-7-12(15)16(17)18)8-19-10-4-2-9(6-13)3-5-10/h2-5,7H,8H2,1H3

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 20:16:23 GMT 2025
Edited
by admin
on Tue Apr 01 20:16:23 GMT 2025
Record UNII
A9TM3ND5MS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-350381
Preferred Name English
4-[(1-methyl-5-nitroimidazol-2-yl)methylsulfanyl]benzonitrile
Systematic Name English
Benzonitrile, 4-[[(1-methyl-5-nitro-1H-imidazol-2-yl)methyl]thio]-
Systematic Name English
4-(1-METHYL-5-NITRO-1H-IMIDAZOL-2-YLMETHYLSULFANYL)-BENZONITRILE
Systematic Name English
Code System Code Type Description
CAS
61717-41-7
Created by admin on Tue Apr 01 20:16:23 GMT 2025 , Edited by admin on Tue Apr 01 20:16:23 GMT 2025
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FDA UNII
A9TM3ND5MS
Created by admin on Tue Apr 01 20:16:23 GMT 2025 , Edited by admin on Tue Apr 01 20:16:23 GMT 2025
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NSC
350381
Created by admin on Tue Apr 01 20:16:23 GMT 2025 , Edited by admin on Tue Apr 01 20:16:23 GMT 2025
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PUBCHEM
336393
Created by admin on Tue Apr 01 20:16:23 GMT 2025 , Edited by admin on Tue Apr 01 20:16:23 GMT 2025
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EPA CompTox
DTXSID40210722
Created by admin on Tue Apr 01 20:16:23 GMT 2025 , Edited by admin on Tue Apr 01 20:16:23 GMT 2025
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