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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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