5-thiocyanatohex-3-yn-2-yl thiocyanate

Systemtic Name: 5-thiocyanatohex-3-yn-2-yl thiocyanate Openeye Name: (1-methyl-4-thiocyanato-pent-2-ynyl) thiocyanate CAS Name: thiocyanic acid 5-thiocyanatohex-3-yn-2-yl ester IUPAC Name: 5-thiocyanatohex-3-yn-2-yl thiocyanate Traditional Name: thiocyanic acid (1-methyl-4-thiocyanato-pent-2-ynyl) ester Formula: C8H8N2S2 MolecularWeight: 196.29252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC(C)SC#N)SC#N

Isomeric SMILES

CC(C#CC(C)SC#N)SC#N

InChI

InChI=1S/C8H8N2S2/c1-7(11-5-9)3-4-8(2)12-6-10/h7-8H,1-2H3