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

Systemtic Name: 2-(4-bromophenyl)-1-isothiocyanato-ethanone Openeye Name: 2-(4-bromophenyl)acetyl isothiocyanate CAS Name: 2-(4-bromophenyl)-1-isothiocyanatoethanone IUPAC Name: 2-(4-bromophenyl)acetyl isothiocyanate Traditional Name: 2-(4-bromophenyl)-1-isothiocyanato-ethanone Formula: C9H6BrNOS MolecularWeight: 256.11904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6BrNOS/c10-8-3-1-7(2-4-8)5-9(12)11-6-13/h1-4H,5H2