[4-(2-azanyl-1-bromanyl-2-oxidanylidene-ethyl)-2,5-bis(chloranyl)phenyl] thiocyanate

Systemtic Name: [4-(2-azanyl-1-bromanyl-2-oxidanylidene-ethyl)-2,5-bis(chloranyl)phenyl] thiocyanate Openeye Name: [4-(2-amino-1-bromo-2-oxo-ethyl)-2,5-dichloro-phenyl] thiocyanate CAS Name: thiocyanic acid [4-(2-amino-1-bromo-2-oxoethyl)-2,5-dichlorophenyl] ester IUPAC Name: [4-(2-amino-1-bromo-2-oxoethyl)-2,5-dichlorophenyl] thiocyanate Traditional Name: thiocyanic acid [4-(2-amino-1-bromo-2-keto-ethyl)-2,5-dichloro-phenyl] ester Formula: C9H5BrCl2N2OS MolecularWeight: 340.0238

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)SC#N)Cl)C(C(=O)N)Br

Isomeric SMILES

C1=C(C(=CC(=C1Cl)SC#N)Cl)C(C(=O)N)Br

InChI

InChI=1S/C9H5BrCl2N2OS/c10-8(9(14)15)4-1-6(12)7(16-3-13)2-5(4)11/h1-2,8H,(H2,14,15)