(2-isothiocyanato-3-phenyl-propyl) thiocyanate

Systemtic Name: (2-isothiocyanato-3-phenyl-propyl) thiocyanate Openeye Name: (2-isothiocyanato-3-phenyl-propyl) thiocyanate CAS Name: thiocyanic acid (2-isothiocyanato-3-phenylpropyl) ester IUPAC Name: (2-isothiocyanato-3-phenylpropyl) thiocyanate Traditional Name: thiocyanic acid (2-isothiocyanato-3-phenyl-propyl) ester Formula: C11H10N2S2 MolecularWeight: 234.3405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC#N)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC#N)N=C=S

InChI

InChI=1S/C11H10N2S2/c12-8-15-7-11(13-9-14)6-10-4-2-1-3-5-10/h1-5,11H,6-7H2