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

Systemtic Name: (Z)-N1'-but-3-yn-2-yl-N1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitro-ethene-1,1-diamine Openeye Name: (Z)-N1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-N1'-(1-methylprop-2-ynyl)-2-nitro-ethene-1,1-diamine CAS Name: (Z)-N1'-but-3-yn-2-yl-N1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-2-nitroethene-1,1-diamine IUPAC Name: (Z)-1-N'-but-3-yn-2-yl-1-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine Traditional Name: 2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl-[(Z)-1-(1-methylprop-2-ynylamino)-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-])NC(C)C#C

Isomeric SMILES

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

InChI

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