1-isothiocyanato-2-phenyl-ethanone

Systemtic Name: 1-isothiocyanato-2-phenyl-ethanone Openeye Name: 2-phenylacetyl isothiocyanate CAS Name: 1-isothiocyanato-2-phenylethanone IUPAC Name: 2-phenylacetyl isothiocyanate Traditional Name: 1-isothiocyanato-2-phenyl-ethanone Formula: C9H7NOS MolecularWeight: 177.22298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NOS/c11-9(10-7-12)6-8-4-2-1-3-5-8/h1-5H,6H2