2-(4-chlorophenyl)-1-isothiocyanato-ethanone

Systemtic Name: 2-(4-chlorophenyl)-1-isothiocyanato-ethanone Openeye Name: 2-(4-chlorophenyl)acetyl isothiocyanate CAS Name: 2-(4-chlorophenyl)-1-isothiocyanatoethanone IUPAC Name: 2-(4-chlorophenyl)acetyl isothiocyanate Traditional Name: 2-(4-chlorophenyl)-1-isothiocyanato-ethanone Formula: C9H6ClNOS MolecularWeight: 211.66804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)N=C=S)Cl

Isomeric SMILES

C1=CC(=CC=C1CC(=O)N=C=S)Cl

InChI

InChI=1S/C9H6ClNOS/c10-8-3-1-7(2-4-8)5-9(12)11-6-13/h1-4H,5H2