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Details

Stereochemistry ACHIRAL
Molecular Formula C17H19NS2
Molecular Weight 301.469
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BISULEPIN

SMILES

CN(C)CC\C=C1\C2=C(SC=C2)SCC3=C1C=CC=C3

InChI

InChIKey=ZLJLUTCIUOCIQM-OVCLIPMQSA-N
InChI=1S/C17H19NS2/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-20-17-16(15)9-11-19-17/h3-4,6-9,11H,5,10,12H2,1-2H3/b15-8+

HIDE SMILES / InChI

Molecular Formula C17H19NS2
Molecular Weight 301.469
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
595726R32U
Record Status Validated (UNII)
Record Version