(5-azanyl-2,4-dinitro-phenyl) thiocyanate

Systemtic Name: (5-azanyl-2,4-dinitro-phenyl) thiocyanate Openeye Name: (5-amino-2,4-dinitro-phenyl) thiocyanate CAS Name: thiocyanic acid (5-amino-2,4-dinitrophenyl) ester IUPAC Name: (5-amino-2,4-dinitrophenyl) thiocyanate Traditional Name: thiocyanic acid (5-amino-2,4-dinitro-phenyl) ester Formula: C7H4N4O4S MolecularWeight: 240.19606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1SC#N)[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

C1=C(C(=CC(=C1SC#N)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C7H4N4O4S/c8-3-16-7-1-4(9)5(10(12)13)2-6(7)11(14)15/h1-2H,9H2