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Details

Stereochemistry ACHIRAL
Molecular Formula C8H13N3O4S
Molecular Weight 247.272
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOTINIDAZOLE

SMILES

CCS(=O)(=O)CCN1C=C(N=C1C)[N+]([O-])=O

InChI

InChIKey=GHJQUSZGINOURI-UHFFFAOYSA-N
InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-6-8(11(12)13)9-7(10)2/h6H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H13N3O4S
Molecular Weight 247.272
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
OTU3H1J2L2
Record Status Validated (UNII)
Record Version