(E)-N1-[2-[(3-ethoxypyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-N1'-prop-2-ynyl-ethene-1,1-diamine

Systemtic Name: (E)-N1-[2-[(3-ethoxypyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-N1'-prop-2-ynyl-ethene-1,1-diamine Openeye Name: (E)-N1-[2-[(3-ethoxy-2-pyridyl)methylsulfanyl]ethyl]-2-nitro-N1'-prop-2-ynyl-ethene-1,1-diamine CAS Name: (E)-N1-[2-[(3-ethoxy-2-pyridinyl)methylthio]ethyl]-2-nitro-N1'-prop-2-ynylethene-1,1-diamine IUPAC Name: (E)-1-N-[2-[(3-ethoxypyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-1-N'-prop-2-ynylethene-1,1-diamine Traditional Name: 2-[(3-ethoxy-2-pyridyl)methylthio]ethyl-[(E)-2-nitro-1-(propargylamino)vinyl]amine Formula: C15H20N4O3S MolecularWeight: 336.4093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N=CC=C1)CSCCNC(=C[N+](=O)[O-])NCC#C

Isomeric SMILES

CCOC1=C(N=CC=C1)CSCCN/C(=C/[N+](=O)[O-])/NCC#C

InChI

InChI=1S/C15H20N4O3S/c1-3-7-17-15(11-19(20)21)18-9-10-23-12-13-14(22-4-2)6-5-8-16-13/h1,5-6,8,11,17-18H,4,7,9-10,12H2,2H3/b15-11+