(3,6-dimethyl-1-oxidanidyl-pyrazin-1-ium-2-yl)sulfanylmethyl thiocyanate

Systemtic Name: (3,6-dimethyl-1-oxidanidyl-pyrazin-1-ium-2-yl)sulfanylmethyl thiocyanate Openeye Name: (3,6-dimethyl-1-oxido-pyrazin-1-ium-2-yl)sulfanylmethyl thiocyanate CAS Name: thiocyanic acid [(3,6-dimethyl-1-oxido-2-pyrazin-1-iumyl)thio]methyl ester IUPAC Name: (3,6-dimethyl-1-oxidopyrazin-1-ium-2-yl)sulfanylmethyl thiocyanate Traditional Name: thiocyanic acid [(3,6-dimethyl-1-oxido-pyrazin-1-ium-2-yl)thio]methyl ester Formula: C8H9N3OS2 MolecularWeight: 227.30656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=[N+]1[O-])SCSC#N)C

Isomeric SMILES

CC1=CN=C(C(=[N+]1[O-])SCSC#N)C

InChI

InChI=1S/C8H9N3OS2/c1-6-3-10-7(2)8(11(6)12)14-5-13-4-9/h3H,5H2,1-2H3