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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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