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Details

Stereochemistry ACHIRAL
Molecular Formula C16H19N3OS.ClH
Molecular Weight 337.868
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-3608

SMILES

Cl.C(N1CCN(CC1)C2=NC=CS2)C3=CC=C4OCCC4=C3

InChI

InChIKey=ZPWJKCKRQHIQNM-UHFFFAOYSA-N
InChI=1S/C16H19N3OS.ClH/c1-2-15-14(3-9-20-15)11-13(1)12-18-5-7-19(8-6-18)16-17-4-10-21-16;/h1-2,4,10-11H,3,5-9,12H2;1H

HIDE SMILES / InChI

Molecular Formula C16H19N3OS
Molecular Weight 301.407
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

Molecular Formula ClH
Molecular Weight 36.461
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

Substance Class Chemical
Record UNII
YY948765IH
Record Status Validated (UNII)
Record Version