ethanenitrile; 2-(4-fluorophenyl)-1-isothiocyanato-ethanone

Systemtic Name: ethanenitrile; 2-(4-fluorophenyl)-1-isothiocyanato-ethanone Openeye Name: acetonitrile; 2-(4-fluorophenyl)acetyl isothiocyanate CAS Name: acetonitrile; 2-(4-fluorophenyl)-1-isothiocyanatoethanone IUPAC Name: acetonitrile; 2-(4-fluorophenyl)acetyl isothiocyanate Traditional Name: acetonitrile; 2-(4-fluorophenyl)-1-isothiocyanato-ethanone Formula: C11H9FN2OS MolecularWeight: 236.265363

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C1=CC(=CC=C1CC(=O)N=C=S)F

Isomeric SMILES

CC#N.C1=CC(=CC=C1CC(=O)N=C=S)F

InChI

InChI=1S/C9H6FNOS.C2H3N/c10-8-3-1-7(2-4-8)5-9(12)11-6-13;1-2-3/h1-4H,5H2;1H3