N,N-dimethyl-1-(5-{[(2-{[(1E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methanamine oxide

CAS: 73857-20-2

Formula: C13H22N4O4S

SMILES: CNC(NCCSCC1=CC=C(C[N+](C)(C)[O-])O1)=C/[N+]([O-])=O

IUPAC: N,N-dimethyl-1-(5-{[(2-{[(1E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methanamine oxide

InChI: InChI=1S/C13H22N4O4S/c1-14-13(8-16(18)19)15-6-7-22-10-12-5-4-11(21-12)9-17(2,3)20/h4-5,8,14-15H,6-7,9-10H2,1-3H3/b13-8+

Composition: C (47.26%), H (6.71%), N (16.96%), O (19.37%), S (9.70%)

Molar Mass: 330.4

Atom Count: 44

Heavy Atom Count: 22