(Z)-N1-but-3-ynyl-2-nitro-N1'-[2-(pyridin-2-ylmethylsulfanyl)ethyl]ethene-1,1-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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