N7-[1,1-bis(oxidanylidene)thiolan-3-yl]-N7-ethyl-4-nitro-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7-[1,1-bis(oxidanylidene)thiolan-3-yl]-N7-ethyl-4-nitro-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-(1,1-dioxothiolan-3-yl)-N7-ethyl-4-nitro-N5-(2-pyridyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-(1,1-dioxo-3-thiolanyl)-N7-ethyl-4-nitro-N5-(2-pyridinyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-(1,1-dioxothiolan-3-yl)-7-N-ethyl-4-nitro-5-N-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: (1,1-diketothiolan-3-yl)-ethyl-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]amine Formula: C17H18N6O5S MolecularWeight: 418.42702

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

InChI

InChI=1S/C17H18N6O5S/c1-2-22(11-6-8-29(26,27)10-11)13-9-12(19-14-5-3-4-7-18-14)17(23(24)25)16-15(13)20-28-21-16/h3-5,7,9,11H,2,6,8,10H2,1H3,(H,18,19)