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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSC(C)CNC(=C[N+](=O)[O-])NCC#C

Isomeric SMILES

CC1=C(N=CN1)CSC(C)CN/C(=C/[N+](=O)[O-])/NCC#C

InChI

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