[2,5-bis(bromanyl)-4-(2-iodanylethanoylamino)phenyl] thiocyanate

Systemtic Name: [2,5-bis(bromanyl)-4-(2-iodanylethanoylamino)phenyl] thiocyanate Openeye Name: [2,5-dibromo-4-[(2-iodoacetyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [2,5-dibromo-4-[(2-iodo-1-oxoethyl)amino]phenyl] ester IUPAC Name: [2,5-dibromo-4-[(2-iodoacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [2,5-dibromo-4-[(2-iodoacetyl)amino]phenyl] ester Formula: C9H5Br2IN2OS MolecularWeight: 475.92627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Br)SC#N)Br)NC(=O)CI

Isomeric SMILES

C1=C(C(=CC(=C1Br)SC#N)Br)NC(=O)CI

InChI

InChI=1S/C9H5Br2IN2OS/c10-5-2-8(16-4-13)6(11)1-7(5)14-9(15)3-12/h1-2H,3H2,(H,14,15)