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

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

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

Isomeric SMILES

CC#CCN/C(=C/[N+](=O)[O-])/NCCSCC1=C(NC=N1)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/h8,10,14-15H,5-7,9H2,1-2H3,(H,16,17)/b13-8-