8-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylquinoline

Systemtic Name: 8-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylquinoline Openeye Name: 8-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylquinoline CAS Name: 8-[[1-(4-methoxyphenyl)-2-nitroethyl]thio]quinoline IUPAC Name: 8-[1-(4-methoxyphenyl)-2-nitroethyl]sulfanylquinoline Traditional Name: 8-[[1-(4-methoxyphenyl)-2-nitro-ethyl]thio]quinoline Formula: C18H16N2O3S MolecularWeight: 340.39624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(C[N+](=O)[O-])SC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C18H16N2O3S/c1-23-15-9-7-13(8-10-15)17(12-20(21)22)24-16-6-2-4-14-5-3-11-19-18(14)16/h2-11,17H,12H2,1H3