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

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl)-isothiocyanato-methanone Openeye Name: 4-bromo-2-chloro-benzoyl isothiocyanate CAS Name: (4-bromo-2-chlorophenyl)-isothiocyanatomethanone IUPAC Name: 4-bromo-2-chlorobenzoyl isothiocyanate Traditional Name: (4-bromo-2-chloro-phenyl)-isothiocyanato-methanone Formula: C8H3BrClNOS MolecularWeight: 276.53752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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