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Details

Stereochemistry ACHIRAL
Molecular Formula C13H8N4OS
Molecular Weight 268.294
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of C-16

SMILES

O=C1NC2=C(\C1=C\C3=CN=CN3)C4=C(C=C2)N=CS4

InChI

InChIKey=VFBGXTUGODTSPK-BAQGIRSFSA-N
InChI=1S/C13H8N4OS/c18-13-8(3-7-4-14-5-15-7)11-9(17-13)1-2-10-12(11)19-6-16-10/h1-6H,(H,14,15)(H,17,18)/b8-3-

HIDE SMILES / InChI

Molecular Formula C13H8N4OS
Molecular Weight 268.294
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
C9Q75QZK84
Record Status Validated (UNII)
Record Version