[4-[[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl] thiocyanate

Systemtic Name: [4-[[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl] thiocyanate Openeye Name: [4-[[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl] ester IUPAC Name: [4-[[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[7-(diethylamino)-4-nitro-benzofurazan-5-yl]amino]phenyl] ester Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=C(C=C3)SC#N

Isomeric SMILES

CCN(CC)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C17H16N6O3S/c1-3-22(4-2)14-9-13(17(23(24)25)16-15(14)20-26-21-16)19-11-5-7-12(8-6-11)27-10-18/h5-9,19H,3-4H2,1-2H3