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

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)-isothiocyanato-methanone Openeye Name: 2-bromo-5-methoxy-benzoyl isothiocyanate CAS Name: (2-bromo-5-methoxyphenyl)-isothiocyanatomethanone IUPAC Name: 2-bromo-5-methoxybenzoyl isothiocyanate Traditional Name: (2-bromo-5-methoxy-phenyl)-isothiocyanato-methanone Formula: C9H6BrNO2S MolecularWeight: 272.11844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N=C=S

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N=C=S

InChI

InChI=1S/C9H6BrNO2S/c1-13-6-2-3-8(10)7(4-6)9(12)11-5-14/h2-4H,1H3