2-(3-methoxy-5-oxidanylidene-2H-1,2,5-thiadiazol-5-ium-4-yl)ethyl thiocyanate

Systemtic Name: 2-(3-methoxy-5-oxidanylidene-2H-1,2,5-thiadiazol-5-ium-4-yl)ethyl thiocyanate Openeye Name: 2-(3-methoxy-5-oxo-2H-1,2,5-thiadiazol-5-ium-4-yl)ethyl thiocyanate CAS Name: thiocyanic acid 2-(3-methoxy-5-oxo-2H-1,2,5-thiadiazol-5-ium-4-yl)ethyl ester IUPAC Name: 2-(3-methoxy-5-oxo-2H-1,2,5-thiadiazol-5-ium-4-yl)ethyl thiocyanate Traditional Name: thiocyanic acid 2-(5-keto-3-methoxy-2H-1,2,5-thiadiazol-5-ium-4-yl)ethyl ester Formula: C6H8N3O2S2+ MolecularWeight: 218.27662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C([N+](=O)SN1)CCSC#N

Isomeric SMILES

COC1=C([N+](=O)SN1)CCSC#N

InChI

InChI=1S/C6H8N3O2S2/c1-11-6-5(2-3-12-4-7)9(10)13-8-6/h8H,2-3H2,1H3/q+1