N1,N1'-bis[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine

Systemtic Name: N1,N1'-bis[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine Openeye Name: N1,N1'-bis[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine CAS Name: N1,N1'-bis[2-[(3-bromo-2-pyridinyl)methylthio]ethyl]-2-nitroethene-1,1-diamine IUPAC Name: 1-N,1-N'-bis[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine Traditional Name: 2-[(3-bromo-2-pyridyl)methylthio]ethyl-[1-[2-[(3-bromo-2-pyridyl)methylthio]ethylamino]-2-nitro-vinyl]amine Formula: C18H21Br2N5O2S2 MolecularWeight: 563.32964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSCCNC(=C[N+](=O)[O-])NCCSCC2=C(C=CC=N2)Br)Br

Isomeric SMILES

C1=CC(=C(N=C1)CSCCNC(=C[N+](=O)[O-])NCCSCC2=C(C=CC=N2)Br)Br

InChI

InChI=1S/C18H21Br2N5O2S2/c19-14-3-1-5-21-16(14)12-28-9-7-23-18(11-25(26)27)24-8-10-29-13-17-15(20)4-2-6-22-17/h1-6,11,23-24H,7-10,12-13H2