(2-azanyl-6-nitro-benzo[e][1,3]benzothiazol-5-yl) thiocyanate

Systemtic Name: (2-azanyl-6-nitro-benzo[e][1,3]benzothiazol-5-yl) thiocyanate Openeye Name: (2-amino-6-nitro-benzo[e][1,3]benzothiazol-5-yl) thiocyanate CAS Name: thiocyanic acid (2-amino-6-nitro-5-benzo[e][1,3]benzothiazolyl) ester IUPAC Name: (2-amino-6-nitrobenzo[e][1,3]benzothiazol-5-yl) thiocyanate Traditional Name: thiocyanic acid (2-amino-6-nitro-benzo[e][1,3]benzothiazol-5-yl) ester Formula: C12H6N4O2S2 MolecularWeight: 302.33164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=CC(=C2C(=C1)[N+](=O)[O-])SC#N)SC(=N3)N

Isomeric SMILES

C1=CC2=C3C(=CC(=C2C(=C1)[N+](=O)[O-])SC#N)SC(=N3)N

InChI

InChI=1S/C12H6N4O2S2/c13-5-19-8-4-9-11(15-12(14)20-9)6-2-1-3-7(10(6)8)16(17)18/h1-4H,(H2,14,15)