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

Systemtic Name: N7-[1,1-bis(oxidanylidene)thiolan-3-yl]-N7-methyl-4-nitro-N5-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-(1,1-dioxothiolan-3-yl)-N7-methyl-4-nitro-N5-(2-pyridyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-(1,1-dioxo-3-thiolanyl)-N7-methyl-4-nitro-N5-(2-pyridinyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-(1,1-dioxothiolan-3-yl)-7-N-methyl-4-nitro-5-N-pyridin-2-yl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: (1,1-diketothiolan-3-yl)-methyl-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]amine Formula: C16H16N6O5S MolecularWeight: 404.40044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O5S/c1-21(10-5-7-28(25,26)9-10)12-8-11(18-13-4-2-3-6-17-13)16(22(23)24)15-14(12)19-27-20-15/h2-4,6,8,10H,5,7,9H2,1H3,(H,17,18)