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Details

Stereochemistry RACEMIC
Molecular Formula C13H11N3OS
Molecular Weight 257.311
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(PHENYLSULFINYL)-1H-BENZIMIDAZOL-2-AMINE

SMILES

NC1=NC2=CC(=CC=C2N1)[S+]([O-])C3=CC=CC=C3

InChI

InChIKey=IWVYUWQPDMROLN-UHFFFAOYSA-N
InChI=1S/C13H11N3OS/c14-13-15-11-7-6-10(8-12(11)16-13)18(17)9-4-2-1-3-5-9/h1-8H,(H3,14,15,16)

HIDE SMILES / InChI

Molecular Formula C13H11N3OS
Molecular Weight 257.311
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
ZR38Z38HB3
Record Status Validated (UNII)
Record Version