(E)-N1-[2-[(2-azanyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]-N1'-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1-[2-[(2-azanyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]-N1'-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1-[2-[(2-aminothiazol-4-yl)methylsulfanyl]ethyl]-N1'-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1-[2-[(2-amino-4-thiazolyl)methylthio]ethyl]-N1'-[2-[(3-bromo-2-pyridinyl)methylthio]ethyl]-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N-[2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]ethyl]-1-N'-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine Traditional Name: 2-[(2-aminothiazol-4-yl)methylthio]ethyl-[(E)-1-[2-[(3-bromo-2-pyridyl)methylthio]ethylamino]-2-nitro-vinyl]amine Formula: C16H21BrN6O2S3 MolecularWeight: 505.47594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=C(N=C1)CSCCN/C(=C/[N+](=O)[O-])/NCCSCC2=CSC(=N2)N)Br

InChI

InChI=1S/C16H21BrN6O2S3/c17-13-2-1-3-19-14(13)11-27-7-5-21-15(8-23(24)25)20-4-6-26-9-12-10-28-16(18)22-12/h1-3,8,10,20-21H,4-7,9,11H2,(H2,18,22)/b15-8+