(E)-N1-but-3-ynyl-N1'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1-but-3-ynyl-N1'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1-but-3-ynyl-N1'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1-but-3-ynyl-N1'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N-but-3-ynyl-1-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine Traditional Name: but-3-ynyl-[(E)-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-2-nitro-vinyl]amine Formula: C13H19N5O2S MolecularWeight: 309.38726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=C[N+](=O)[O-])NCCC#C

Isomeric SMILES

CC1=C(N=CN1)CSCCN/C(=C/[N+](=O)[O-])/NCCC#C

InChI

InChI=1S/C13H19N5O2S/c1-3-4-5-14-13(8-18(19)20)15-6-7-21-9-12-11(2)16-10-17-12/h1,8,10,14-15H,4-7,9H2,2H3,(H,16,17)/b13-8+