(E)-2-nitro-N1-(2-propylsulfanylethyl)-N1'-(pyridin-3-ylmethyl)ethene-1,1-diamine

Systemtic Name: (E)-2-nitro-N1-(2-propylsulfanylethyl)-N1'-(pyridin-3-ylmethyl)ethene-1,1-diamine Openeye Name: (E)-2-nitro-N1-(2-propylsulfanylethyl)-N1'-(3-pyridylmethyl)ethene-1,1-diamine CAS Name: (E)-2-nitro-N1-[2-(propylthio)ethyl]-N1'-(3-pyridinylmethyl)ethene-1,1-diamine IUPAC Name: (E)-2-nitro-1-N-(2-propylsulfanylethyl)-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine Traditional Name: [(E)-2-nitro-1-[2-(propylthio)ethylamino]vinyl]-(3-pyridylmethyl)amine Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCNC(=C[N+](=O)[O-])NCC1=CN=CC=C1

Isomeric SMILES

CCCSCCN/C(=C/[N+](=O)[O-])/NCC1=CN=CC=C1

InChI

InChI=1S/C13H20N4O2S/c1-2-7-20-8-6-15-13(11-17(18)19)16-10-12-4-3-5-14-9-12/h3-5,9,11,15-16H,2,6-8,10H2,1H3/b13-11-