1-isothiocyanato-3-methyl-2-phenyl-pentan-1-one

Systemtic Name: 1-isothiocyanato-3-methyl-2-phenyl-pentan-1-one Openeye Name: 3-methyl-2-phenyl-pentanoyl isothiocyanate CAS Name: 1-isothiocyanato-3-methyl-2-phenyl-1-pentanone IUPAC Name: 3-methyl-2-phenylpentanoyl isothiocyanate Traditional Name: 1-isothiocyanato-3-methyl-2-phenyl-pentan-1-one Formula: C13H15NOS MolecularWeight: 233.3293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)N=C=S

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)N=C=S

InChI

InChI=1S/C13H15NOS/c1-3-10(2)12(13(15)14-9-16)11-7-5-4-6-8-11/h4-8,10,12H,3H2,1-2H3