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

Systemtic Name: (Z)-N1-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-N1'-prop-2-ynyl-ethene-1,1-diamine Openeye Name: (Z)-N1-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethyl]-2-nitro-N1'-prop-2-ynyl-ethene-1,1-diamine CAS Name: (Z)-N1-[2-[(3-bromo-2-pyridinyl)methylthio]ethyl]-2-nitro-N1'-prop-2-ynylethene-1,1-diamine IUPAC Name: (Z)-1-N-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-1-N'-prop-2-ynylethene-1,1-diamine Traditional Name: 2-[(3-bromo-2-pyridyl)methylthio]ethyl-[(Z)-2-nitro-1-(propargylamino)vinyl]amine Formula: C13H15BrN4O2S MolecularWeight: 371.2528

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=C[N+](=O)[O-])NCCSCC1=C(C=CC=N1)Br

Isomeric SMILES

C#CCN/C(=C/[N+](=O)[O-])/NCCSCC1=C(C=CC=N1)Br

InChI

InChI=1S/C13H15BrN4O2S/c1-2-5-16-13(9-18(19)20)17-7-8-21-10-12-11(14)4-3-6-15-12/h1,3-4,6,9,16-17H,5,7-8,10H2/b13-9-