(5-bromanyl-2-chloranyl-phenyl)-isothiocyanato-methanone

Systemtic Name: (5-bromanyl-2-chloranyl-phenyl)-isothiocyanato-methanone Openeye Name: 5-bromo-2-chloro-benzoyl isothiocyanate CAS Name: (5-bromo-2-chlorophenyl)-isothiocyanatomethanone IUPAC Name: 5-bromo-2-chlorobenzoyl isothiocyanate Traditional Name: (5-bromo-2-chloro-phenyl)-isothiocyanato-methanone Formula: C8H3BrClNOS MolecularWeight: 276.53752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)N=C=S)Cl

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)N=C=S)Cl

InChI

InChI=1S/C8H3BrClNOS/c9-5-1-2-7(10)6(3-5)8(12)11-4-13/h1-3H