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

Systemtic Name: [4-[(7-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenyl] thiocyanate Openeye Name: [4-[(7-morpholino-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[7-(4-morpholinyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl] ester IUPAC Name: [4-[(7-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(7-morpholino-4-nitro-benzofurazan-5-yl)amino]phenyl] ester Formula: C17H14N6O4S MolecularWeight: 398.39586

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=C(C=C4)SC#N

Isomeric SMILES

C1COCCN1C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=C(C=C4)SC#N

InChI

InChI=1S/C17H14N6O4S/c18-10-28-12-3-1-11(2-4-12)19-13-9-14(22-5-7-26-8-6-22)15-16(21-27-20-15)17(13)23(24)25/h1-4,9,19H,5-8H2