(3-chloranyl-1-oxidanidyl-pyrazin-1-ium-2-yl)sulfanylmethyl thiocyanate

Systemtic Name: (3-chloranyl-1-oxidanidyl-pyrazin-1-ium-2-yl)sulfanylmethyl thiocyanate Openeye Name: (3-chloro-1-oxido-pyrazin-1-ium-2-yl)sulfanylmethyl thiocyanate CAS Name: thiocyanic acid [(3-chloro-1-oxido-2-pyrazin-1-iumyl)thio]methyl ester IUPAC Name: (3-chloro-1-oxidopyrazin-1-ium-2-yl)sulfanylmethyl thiocyanate Traditional Name: thiocyanic acid [(3-chloro-1-oxido-pyrazin-1-ium-2-yl)thio]methyl ester Formula: C6H4ClN3OS2 MolecularWeight: 233.69846

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=C(C(=N1)Cl)SCSC#N)[O-]

Isomeric SMILES

C1=C[N+](=C(C(=N1)Cl)SCSC#N)[O-]

InChI

InChI=1S/C6H4ClN3OS2/c7-5-6(13-4-12-3-8)10(11)2-1-9-5/h1-2H,4H2