(4-nitro-1H-indol-3-yl) thiocyanate

Systemtic Name: (4-nitro-1H-indol-3-yl) thiocyanate Openeye Name: (4-nitro-1H-indol-3-yl) thiocyanate CAS Name: thiocyanic acid (4-nitro-1H-indol-3-yl) ester IUPAC Name: (4-nitro-1H-indol-3-yl) thiocyanate Traditional Name: thiocyanic acid (4-nitro-1H-indol-3-yl) ester Formula: C9H5N3O2S MolecularWeight: 219.2199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CN2)SC#N

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CN2)SC#N

InChI

InChI=1S/C9H5N3O2S/c10-5-15-8-4-11-6-2-1-3-7(9(6)8)12(13)14/h1-4,11H