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

Systemtic Name: (E)-N1-[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-N1'-prop-2-ynyl-ethene-1,1-diamine Openeye Name: (E)-N1-[2-[(3-methoxy-2-pyridyl)methylsulfanyl]ethyl]-2-nitro-N1'-prop-2-ynyl-ethene-1,1-diamine CAS Name: (E)-N1-[2-[(3-methoxy-2-pyridinyl)methylthio]ethyl]-2-nitro-N1'-prop-2-ynylethene-1,1-diamine IUPAC Name: (E)-1-N-[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethyl]-2-nitro-1-N'-prop-2-ynylethene-1,1-diamine Traditional Name: 2-[(3-methoxy-2-pyridyl)methylthio]ethyl-[(E)-2-nitro-1-(propargylamino)vinyl]amine Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CC=C1)CSCCNC(=C[N+](=O)[O-])NCC#C

Isomeric SMILES

COC1=C(N=CC=C1)CSCCN/C(=C/[N+](=O)[O-])/NCC#C

InChI

InChI=1S/C14H18N4O3S/c1-3-6-16-14(10-18(19)20)17-8-9-22-11-12-13(21-2)5-4-7-15-12/h1,4-5,7,10,16-17H,6,8-9,11H2,2H3/b14-10+