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

Systemtic Name: (E)-N1'-but-3-yn-2-yl-2-nitro-N1-[2-(pyridin-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine Openeye Name: (E)-N1'-(1-methylprop-2-ynyl)-2-nitro-N1-[2-(2-pyridylmethylsulfanyl)ethyl]ethene-1,1-diamine CAS Name: (E)-N1'-but-3-yn-2-yl-2-nitro-N1-[2-(2-pyridinylmethylthio)ethyl]ethene-1,1-diamine IUPAC Name: (E)-1-N'-but-3-yn-2-yl-2-nitro-1-N-[2-(pyridin-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine Traditional Name: 1-methylprop-2-ynyl-[(E)-2-nitro-1-[2-(2-pyridylmethylthio)ethylamino]vinyl]amine Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2S/c1-3-12(2)17-14(10-18(19)20)16-8-9-21-11-13-6-4-5-7-15-13/h1,4-7,10,12,16-17H,8-9,11H2,2H3/b14-10+