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Details

Stereochemistry ACHIRAL
Molecular Formula C21H26N4O2S
Molecular Weight 398.522
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLTHIONITAZENE

SMILES

CCN(CC)CCN1C(CC2=CC=C(SC)C=C2)=NC3=CC(=CC=C13)[N+]([O-])=O

InChI

InChIKey=ODVCNMQMXRKHGM-UHFFFAOYSA-N
InChI=1S/C21H26N4O2S/c1-4-23(5-2)12-13-24-20-11-8-17(25(26)27)15-19(20)22-21(24)14-16-6-9-18(28-3)10-7-16/h6-11,15H,4-5,12-14H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C21H26N4O2S
Molecular Weight 398.522
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
JW27AV47BF
Record Status Validated (UNII)
Record Version