(4-acetamido-3-bromanyl-phenyl) thiocyanate

Systemtic Name: (4-acetamido-3-bromanyl-phenyl) thiocyanate Openeye Name: (4-acetamido-3-bromo-phenyl) thiocyanate CAS Name: thiocyanic acid (4-acetamido-3-bromophenyl) ester IUPAC Name: (4-acetamido-3-bromophenyl) thiocyanate Traditional Name: thiocyanic acid (4-acetamido-3-bromo-phenyl) ester Formula: C9H7BrN2OS MolecularWeight: 271.13368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)SC#N)Br

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)SC#N)Br

InChI

InChI=1S/C9H7BrN2OS/c1-6(13)12-9-3-2-7(14-5-11)4-8(9)10/h2-4H,1H3,(H,12,13)