(2-phenyl-1-thiocyanato-butan-2-yl) thiocyanate

Systemtic Name: (2-phenyl-1-thiocyanato-butan-2-yl) thiocyanate Openeye Name: (2-phenyl-2-thiocyanato-butyl) thiocyanate CAS Name: thiocyanic acid (2-phenyl-1-thiocyanatobutan-2-yl) ester IUPAC Name: (2-phenyl-1-thiocyanatobutan-2-yl) thiocyanate Traditional Name: thiocyanic acid (2-phenyl-2-thiocyanato-butyl) ester Formula: C12H12N2S2 MolecularWeight: 248.36708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC#N)(C1=CC=CC=C1)SC#N

Isomeric SMILES

CCC(CSC#N)(C1=CC=CC=C1)SC#N

InChI

InChI=1S/C12H12N2S2/c1-2-12(16-10-14,8-15-9-13)11-6-4-3-5-7-11/h3-7H,2,8H2,1H3