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

Systemtic Name: [4-[[7-(ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl] thiocyanate Openeye Name: [4-[[7-(ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[7-(ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl] ester IUPAC Name: [4-[[7-(ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[7-(ethylamino)-4-nitro-benzofurazan-5-yl]amino]phenyl] ester Formula: C15H12N6O3S MolecularWeight: 356.35918

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=C(C=C3)SC#N

Isomeric SMILES

CCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C15H12N6O3S/c1-2-17-11-7-12(15(21(22)23)14-13(11)19-24-20-14)18-9-3-5-10(6-4-9)25-8-16/h3-7,17-18H,2H2,1H3