(E)-2-nitro-N1'-prop-1-ynyl-N1-[2-(pyridin-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine

Systemtic Name: (E)-2-nitro-N1'-prop-1-ynyl-N1-[2-(pyridin-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine Openeye Name: (E)-2-nitro-N1'-prop-1-ynyl-N1-[2-(2-pyridylmethylsulfanyl)ethyl]ethene-1,1-diamine CAS Name: (E)-2-nitro-N1'-prop-1-ynyl-N1-[2-(2-pyridinylmethylthio)ethyl]ethene-1,1-diamine IUPAC Name: (E)-2-nitro-1-N'-prop-1-ynyl-1-N-[2-(pyridin-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine Traditional Name: [(E)-2-nitro-1-(prop-1-ynylamino)vinyl]-[2-(2-pyridylmethylthio)ethyl]amine Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O2S/c1-2-6-15-13(10-17(18)19)16-8-9-20-11-12-5-3-4-7-14-12/h3-5,7,10,15-16H,8-9,11H2,1H3/b13-10-