2-[[(E)-1-[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethylamino]-2-nitro-ethenyl]amino]ethanol

Systemtic Name: 2-[[(E)-1-[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethylamino]-2-nitro-ethenyl]amino]ethanol Openeye Name: 2-[[(E)-1-[2-[(3-methoxy-2-pyridyl)methylsulfanyl]ethylamino]-2-nitro-vinyl]amino]ethanol CAS Name: 2-[[(E)-1-[2-[(3-methoxy-2-pyridinyl)methylthio]ethylamino]-2-nitroethenyl]amino]ethanol IUPAC Name: 2-[[(E)-1-[2-[(3-methoxypyridin-2-yl)methylsulfanyl]ethylamino]-2-nitroethenyl]amino]ethanol Traditional Name: 2-[[(E)-1-[2-[(3-methoxy-2-pyridyl)methylthio]ethylamino]-2-nitro-vinyl]amino]ethanol Formula: C13H20N4O4S MolecularWeight: 328.3873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O4S/c1-21-12-3-2-4-14-11(12)10-22-8-6-16-13(9-17(19)20)15-5-7-18/h2-4,9,15-16,18H,5-8,10H2,1H3/b13-9+