(phenyl-propylsulfanyl-pyridin-4-yl-methyl) ethanoate

Systemtic Name: (phenyl-propylsulfanyl-pyridin-4-yl-methyl) ethanoate Openeye Name: [phenyl-propylsulfanyl-(4-pyridyl)methyl] acetate CAS Name: acetic acid [phenyl-(propylthio)-pyridin-4-ylmethyl] ester IUPAC Name: (phenyl-propylsulfanyl-pyridin-4-ylmethyl) acetate Traditional Name: acetic acid [phenyl-(propylthio)-(4-pyridyl)methyl] ester Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(C1=CC=CC=C1)(C2=CC=NC=C2)OC(=O)C

Isomeric SMILES

CCCSC(C1=CC=CC=C1)(C2=CC=NC=C2)OC(=O)C

InChI

InChI=1S/C17H19NO2S/c1-3-13-21-17(20-14(2)19,15-7-5-4-6-8-15)16-9-11-18-12-10-16/h4-12H,3,13H2,1-2H3