(E)-N1'-but-3-yn-2-yl-2-nitro-N1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine

Systemtic Name: (E)-N1'-but-3-yn-2-yl-2-nitro-N1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine Openeye Name: (E)-N1'-(1-methylprop-2-ynyl)-2-nitro-N1-[2-(thiazol-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine CAS Name: (E)-N1'-but-3-yn-2-yl-2-nitro-N1-[2-(2-thiazolylmethylthio)ethyl]ethene-1,1-diamine IUPAC Name: (E)-1-N'-but-3-yn-2-yl-2-nitro-1-N-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine Traditional Name: 1-methylprop-2-ynyl-[(E)-2-nitro-1-[2-(thiazol-2-ylmethylthio)ethylamino]vinyl]amine Formula: C12H16N4O2S2 MolecularWeight: 312.41104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)NC(=C[N+](=O)[O-])NCCSCC1=NC=CS1

Isomeric SMILES

CC(C#C)N/C(=C/[N+](=O)[O-])/NCCSCC1=NC=CS1

InChI

InChI=1S/C12H16N4O2S2/c1-3-10(2)15-11(8-16(17)18)13-4-6-19-9-12-14-5-7-20-12/h1,5,7-8,10,13,15H,4,6,9H2,2H3/b11-8+