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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6N2OS2
Molecular Weight 210.276
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACIBENZOLAR-S-METHYL

SMILES

CSC(=O)C1=C2SN=NC2=CC=C1

InChI

InChIKey=UELITFHSCLAHKR-UHFFFAOYSA-N
InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula C8H6N2OS2
Molecular Weight 210.276
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
BCW6119347
Record Status Validated (UNII)
Record Version