2-[4-(bromomethyl)phenyl]-1-isothiocyanato-ethanone

Systemtic Name: 2-[4-(bromomethyl)phenyl]-1-isothiocyanato-ethanone Openeye Name: 2-[4-(bromomethyl)phenyl]acetyl isothiocyanate CAS Name: 2-[4-(bromomethyl)phenyl]-1-isothiocyanatoethanone IUPAC Name: 2-[4-(bromomethyl)phenyl]acetyl isothiocyanate Traditional Name: 2-[4-(bromomethyl)phenyl]-1-isothiocyanato-ethanone Formula: C10H8BrNOS MolecularWeight: 270.14562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8BrNOS/c11-6-9-3-1-8(2-4-9)5-10(13)12-7-14/h1-4H,5-6H2