3-methoxy-2-[[(3E)-3-(nitromethylidene)-5-(pyridin-2-ylmethylsulfanyl)pentyl]sulfanylmethyl]pyridine

Systemtic Name: 3-methoxy-2-[[(3E)-3-(nitromethylidene)-5-(pyridin-2-ylmethylsulfanyl)pentyl]sulfanylmethyl]pyridine Openeye Name: 3-methoxy-2-[[(3E)-3-(nitromethylene)-5-(2-pyridylmethylsulfanyl)pentyl]sulfanylmethyl]pyridine CAS Name: 3-methoxy-2-[[[(3E)-3-(nitromethylidene)-5-(2-pyridinylmethylthio)pentyl]thio]methyl]pyridine IUPAC Name: 3-methoxy-2-[[(3E)-3-(nitromethylidene)-5-(pyridin-2-ylmethylsulfanyl)pentyl]sulfanylmethyl]pyridine Traditional Name: 3-methoxy-2-[[[(E)-4-nitro-3-[2-(2-pyridylmethylthio)ethyl]but-3-enyl]thio]methyl]pyridine Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CC=C1)CSCCC(=C[N+](=O)[O-])CCSCC2=CC=CC=N2

Isomeric SMILES

COC1=C(N=CC=C1)CSCC/C(=C/[N+](=O)[O-])/CCSCC2=CC=CC=N2

InChI

InChI=1S/C19H23N3O3S2/c1-25-19-6-4-10-21-18(19)15-27-12-8-16(13-22(23)24)7-11-26-14-17-5-2-3-9-20-17/h2-6,9-10,13H,7-8,11-12,14-15H2,1H3/b16-13+