[2-(hydroxymethylamino)-1,3-benzothiazol-6-yl] thiocyanate

Systemtic Name: [2-(hydroxymethylamino)-1,3-benzothiazol-6-yl] thiocyanate Openeye Name: [2-(hydroxymethylamino)-1,3-benzothiazol-6-yl] thiocyanate CAS Name: thiocyanic acid [2-(hydroxymethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(hydroxymethylamino)-1,3-benzothiazol-6-yl] thiocyanate Traditional Name: thiocyanic acid [2-(methylolamino)-1,3-benzothiazol-6-yl] ester Formula: C9H7N3OS2 MolecularWeight: 237.30138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1SC#N)SC(=N2)NCO

Isomeric SMILES

C1=CC2=C(C=C1SC#N)SC(=N2)NCO

InChI

InChI=1S/C9H7N3OS2/c10-4-14-6-1-2-7-8(3-6)15-9(12-7)11-5-13/h1-3,13H,5H2,(H,11,12)