(4-azanyl-2-tert-butyl-5-nitro-phenyl) thiocyanate

Systemtic Name: (4-azanyl-2-tert-butyl-5-nitro-phenyl) thiocyanate Openeye Name: (4-amino-2-tert-butyl-5-nitro-phenyl) thiocyanate CAS Name: thiocyanic acid (4-amino-2-tert-butyl-5-nitrophenyl) ester IUPAC Name: (4-amino-2-tert-butyl-5-nitrophenyl) thiocyanate Traditional Name: thiocyanic acid (4-amino-2-tert-butyl-5-nitro-phenyl) ester Formula: C11H13N3O2S MolecularWeight: 251.30482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O2S/c1-11(2,3)7-4-8(13)9(14(15)16)5-10(7)17-6-12/h4-5H,13H2,1-3H3