N-butyl-N-[(5-nitroindazol-1-yl)methyl]-1,1-bis(oxidanylidene)thiolan-3-amine

Systemtic Name: N-butyl-N-[(5-nitroindazol-1-yl)methyl]-1,1-bis(oxidanylidene)thiolan-3-amine Openeye Name: N-butyl-N-[(5-nitroindazol-1-yl)methyl]-1,1-dioxo-thiolan-3-amine CAS Name: N-butyl-N-[(5-nitro-1-indazolyl)methyl]-1,1-dioxo-3-thiolanamine IUPAC Name: N-butyl-N-[(5-nitroindazol-1-yl)methyl]-1,1-dioxothiolan-3-amine Traditional Name: butyl-(1,1-diketothiolan-3-yl)-[(5-nitroindazol-1-yl)methyl]amine Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CN1C2=C(C=C(C=C2)[N+](=O)[O-])C=N1)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCN(CN1C2=C(C=C(C=C2)[N+](=O)[O-])C=N1)C3CCS(=O)(=O)C3

InChI

InChI=1S/C16H22N4O4S/c1-2-3-7-18(15-6-8-25(23,24)11-15)12-19-16-5-4-14(20(21)22)9-13(16)10-17-19/h4-5,9-10,15H,2-3,6-8,11-12H2,1H3