[3-bromanyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-bromanyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[(2,2,2-trifluoroacetyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl] ester IUPAC Name: [3-bromo-4-[(2,2,2-trifluoroacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[(2,2,2-trifluoroacetyl)amino]phenyl] ester Formula: C9H4BrF3N2OS MolecularWeight: 325.10507

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC#N)Br)NC(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1SC#N)Br)NC(=O)C(F)(F)F

InChI

InChI=1S/C9H4BrF3N2OS/c10-6-3-5(17-4-14)1-2-7(6)15-8(16)9(11,12)13/h1-3H,(H,15,16)