1-isothiocyanato-4-phenyl-pentan-1-one

Systemtic Name: 1-isothiocyanato-4-phenyl-pentan-1-one Openeye Name: 4-phenylpentanoyl isothiocyanate CAS Name: 1-isothiocyanato-4-phenyl-1-pentanone IUPAC Name: 4-phenylpentanoyl isothiocyanate Traditional Name: 1-isothiocyanato-4-phenyl-pentan-1-one Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NOS/c1-10(7-8-12(14)13-9-15)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3