(3,6-dimethyl-4-oxidanidyl-pyrazin-4-ium-2-yl)sulfanylmethyl thiocyanate

Systemtic Name: (3,6-dimethyl-4-oxidanidyl-pyrazin-4-ium-2-yl)sulfanylmethyl thiocyanate Openeye Name: (3,6-dimethyl-4-oxido-pyrazin-4-ium-2-yl)sulfanylmethyl thiocyanate CAS Name: thiocyanic acid [(3,6-dimethyl-4-oxido-2-pyrazin-4-iumyl)thio]methyl ester IUPAC Name: (3,6-dimethyl-4-oxidopyrazin-4-ium-2-yl)sulfanylmethyl thiocyanate Traditional Name: thiocyanic acid [(3,6-dimethyl-4-oxido-pyrazin-4-ium-2-yl)thio]methyl ester Formula: C8H9N3OS2 MolecularWeight: 227.30656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=N1)SCSC#N)C)[O-]

Isomeric SMILES

CC1=C[N+](=C(C(=N1)SCSC#N)C)[O-]

InChI

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