1-[2-(3-pyrimidin-2-ylsulfanylpropoxy)phenyl]propan-1-one

Systemtic Name: 1-[2-(3-pyrimidin-2-ylsulfanylpropoxy)phenyl]propan-1-one Openeye Name: 1-[2-(3-pyrimidin-2-ylsulfanylpropoxy)phenyl]propan-1-one CAS Name: 1-[2-[3-(2-pyrimidinylthio)propoxy]phenyl]-1-propanone IUPAC Name: 1-[2-(3-pyrimidin-2-ylsulfanylpropoxy)phenyl]propan-1-one Traditional Name: 1-[2-[3-(2-pyrimidylthio)propoxy]phenyl]propan-1-one Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OCCCSC2=NC=CC=N2

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OCCCSC2=NC=CC=N2

InChI

InChI=1S/C16H18N2O2S/c1-2-14(19)13-7-3-4-8-15(13)20-11-6-12-21-16-17-9-5-10-18-16/h3-5,7-10H,2,6,11-12H2,1H3