[3,5-bis(chloranyl)-6-methyl-1-oxidanidyl-pyrazin-1-ium-2-yl]sulfanylmethyl thiocyanate

Systemtic Name: [3,5-bis(chloranyl)-6-methyl-1-oxidanidyl-pyrazin-1-ium-2-yl]sulfanylmethyl thiocyanate Openeye Name: (3,5-dichloro-6-methyl-1-oxido-pyrazin-1-ium-2-yl)sulfanylmethyl thiocyanate CAS Name: thiocyanic acid [(3,5-dichloro-6-methyl-1-oxido-2-pyrazin-1-iumyl)thio]methyl ester IUPAC Name: (3,5-dichloro-6-methyl-1-oxidopyrazin-1-ium-2-yl)sulfanylmethyl thiocyanate Traditional Name: thiocyanic acid [(3,5-dichloro-6-methyl-1-oxido-pyrazin-1-ium-2-yl)thio]methyl ester Formula: C7H5Cl2N3OS2 MolecularWeight: 282.1701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5Cl2N3OS2/c1-4-5(8)11-6(9)7(12(4)13)15-3-14-2-10/h3H2,1H3