(3-phenyl-4-thiocyanato-pentan-2-yl) thiocyanate

Systemtic Name: (3-phenyl-4-thiocyanato-pentan-2-yl) thiocyanate Openeye Name: (1-methyl-2-phenyl-3-thiocyanato-butyl) thiocyanate CAS Name: thiocyanic acid (3-phenyl-4-thiocyanatopentan-2-yl) ester IUPAC Name: (3-phenyl-4-thiocyanatopentan-2-yl) thiocyanate Traditional Name: thiocyanic acid (1-methyl-2-phenyl-3-thiocyanato-butyl) ester Formula: C13H14N2S2 MolecularWeight: 262.39366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)C(C)SC#N)SC#N

Isomeric SMILES

CC(C(C1=CC=CC=C1)C(C)SC#N)SC#N

InChI

InChI=1S/C13H14N2S2/c1-10(16-8-14)13(11(2)17-9-15)12-6-4-3-5-7-12/h3-7,10-11,13H,1-2H3