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

Systemtic Name: [5-oxidanylidene-4-(thiocyanatomethyl)-2H-1,2,5-thiadiazol-5-ium-3-yl] thiocyanate Openeye Name: [5-oxo-4-(thiocyanatomethyl)-2H-1,2,5-thiadiazol-5-ium-3-yl] thiocyanate CAS Name: thiocyanic acid [5-oxo-4-(thiocyanatomethyl)-2H-1,2,5-thiadiazol-5-ium-3-yl] ester IUPAC Name: [5-oxo-4-(thiocyanatomethyl)-2H-1,2,5-thiadiazol-5-ium-3-yl] thiocyanate Traditional Name: thiocyanic acid [5-keto-4-(thiocyanatomethyl)-2H-1,2,5-thiadiazol-5-ium-3-yl] ester Formula: C5H3N4OS3+ MolecularWeight: 231.29852

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(NS[N+]1=O)SC#N)SC#N

Isomeric SMILES

C(C1=C(NS[N+]1=O)SC#N)SC#N

InChI

InChI=1S/C5H3N4OS3/c6-2-11-1-4-5(12-3-7)8-13-9(4)10/h8H,1H2/q+1