2-(6-azanylperoxysulfanyl-1,3-benzothiazol-2-yl)ethanenitrile

Systemtic Name: 2-(6-azanylperoxysulfanyl-1,3-benzothiazol-2-yl)ethanenitrile Openeye Name: 2-(6-aminoperoxysulfanyl-1,3-benzothiazol-2-yl)acetonitrile CAS Name: 2-(cyanomethyl)-1,3-benzothiazole-6-sulfenic acid aminooxy ester IUPAC Name: 2-(6-aminoperoxysulfanyl-1,3-benzothiazol-2-yl)acetonitrile Traditional Name: 2-[6-(aminoperoxythio)-1,3-benzothiazol-2-yl]acetonitrile Formula: C9H7N3O2S2 MolecularWeight: 253.30078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1SOON)SC(=N2)CC#N

Isomeric SMILES

C1=CC2=C(C=C1SOON)SC(=N2)CC#N

InChI

InChI=1S/C9H7N3O2S2/c10-4-3-9-12-7-2-1-6(16-14-13-11)5-8(7)15-9/h1-2,5H,3,11H2