[1-(4-nitrophenyl)-2-(pyridin-4-ylmethylsulfanyl)ethyl] ethanoate

Systemtic Name: [1-(4-nitrophenyl)-2-(pyridin-4-ylmethylsulfanyl)ethyl] ethanoate Openeye Name: [1-(4-nitrophenyl)-2-(4-pyridylmethylsulfanyl)ethyl] acetate CAS Name: acetic acid [1-(4-nitrophenyl)-2-(pyridin-4-ylmethylthio)ethyl] ester IUPAC Name: [1-(4-nitrophenyl)-2-(pyridin-4-ylmethylsulfanyl)ethyl] acetate Traditional Name: acetic acid [1-(4-nitrophenyl)-2-(4-pyridylmethylthio)ethyl] ester Formula: C16H16N2O4S MolecularWeight: 332.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CSCC1=CC=NC=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC(CSCC1=CC=NC=C1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4S/c1-12(19)22-16(11-23-10-13-6-8-17-9-7-13)14-2-4-15(5-3-14)18(20)21/h2-9,16H,10-11H2,1H3