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

Systemtic Name: [4-[(4-nitro-7-piperidin-1-yl-2,1,3-benzoxadiazol-5-yl)amino]phenyl] thiocyanate Openeye Name: [4-[[4-nitro-7-(1-piperidyl)-2,1,3-benzoxadiazol-5-yl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazol-5-yl]amino]phenyl] ester IUPAC Name: [4-[(4-nitro-7-piperidin-1-yl-2,1,3-benzoxadiazol-5-yl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(4-nitro-7-piperidino-benzofurazan-5-yl)amino]phenyl] ester Formula: C18H16N6O3S MolecularWeight: 396.42304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=C(C=C4)SC#N

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=C(C=C4)SC#N

InChI

InChI=1S/C18H16N6O3S/c19-11-28-13-6-4-12(5-7-13)20-14-10-15(23-8-2-1-3-9-23)16-17(22-27-21-16)18(14)24(25)26/h4-7,10,20H,1-3,8-9H2