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

Systemtic Name: [4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]phenyl] thiocyanate Openeye Name: [4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]phenyl] ester IUPAC Name: [4-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(5-nitrobenzofurazan-4-yl)amino]phenyl] ester Formula: C13H7N5O3S MolecularWeight: 313.29138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=CC3=NON=C32)[N+](=O)[O-])SC#N

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=CC3=NON=C32)[N+](=O)[O-])SC#N

InChI

InChI=1S/C13H7N5O3S/c14-7-22-9-3-1-8(2-4-9)15-13-11(18(19)20)6-5-10-12(13)17-21-16-10/h1-6,15H