N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-ethyl-4-nitro-5-(1-pyrrolidinyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine Traditional Name: (1,1-diketothiolan-3-yl)-ethyl-(7-nitro-6-pyrrolidino-benzofurazan-4-yl)amine Formula: C16H21N5O5S MolecularWeight: 395.43344

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CCN(C1CCS(=O)(=O)C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C16H21N5O5S/c1-2-20(11-5-8-27(24,25)10-11)12-9-13(19-6-3-4-7-19)16(21(22)23)15-14(12)17-26-18-15/h9,11H,2-8,10H2,1H3