2-[[7-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol

Systemtic Name: 2-[[7-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol Openeye Name: 2-[[7-[(1,1-dioxothiolan-3-yl)-methyl-amino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol CAS Name: 2-[[7-[(1,1-dioxo-3-thiolanyl)-methylamino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol IUPAC Name: 2-[[7-[(1,1-dioxothiolan-3-yl)-methylamino]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol Traditional Name: 2-[[7-[(1,1-diketothiolan-3-yl)-methyl-amino]-4-nitro-benzofurazan-5-yl]amino]ethanol Formula: C13H17N5O6S MolecularWeight: 371.36898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O6S/c1-17(8-2-5-25(22,23)7-8)10-6-9(14-3-4-19)13(18(20)21)12-11(10)15-24-16-12/h6,8,14,19H,2-5,7H2,1H3