[5-oxidanylidene-3-(2-thiocyanatoethyl)-2H-1,2,5-thiadiazol-5-ium-4-yl] thiocyanate

Systemtic Name: [5-oxidanylidene-3-(2-thiocyanatoethyl)-2H-1,2,5-thiadiazol-5-ium-4-yl] thiocyanate Openeye Name: [5-oxo-3-(2-thiocyanatoethyl)-2H-1,2,5-thiadiazol-5-ium-4-yl] thiocyanate CAS Name: thiocyanic acid [5-oxo-3-(2-thiocyanatoethyl)-2H-1,2,5-thiadiazol-5-ium-4-yl] ester IUPAC Name: [5-oxo-3-(2-thiocyanatoethyl)-2H-1,2,5-thiadiazol-5-ium-4-yl] thiocyanate Traditional Name: thiocyanic acid [5-keto-3-(2-thiocyanatoethyl)-2H-1,2,5-thiadiazol-5-ium-4-yl] ester Formula: C6H5N4OS3+ MolecularWeight: 245.3251

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Descriptors Computed from Structure

Canonical SMILES:

C(CSC#N)C1=C([N+](=O)SN1)SC#N

Isomeric SMILES

C(CSC#N)C1=C([N+](=O)SN1)SC#N

InChI

InChI=1S/C6H5N4OS3/c7-3-12-2-1-5-6(13-4-8)10(11)14-9-5/h9H,1-2H2/q+1