4-[4-(3-pyrimidin-2-ylsulfanylpropoxy)phenyl]butan-2-one

Systemtic Name: 4-[4-(3-pyrimidin-2-ylsulfanylpropoxy)phenyl]butan-2-one Openeye Name: 4-[4-(3-pyrimidin-2-ylsulfanylpropoxy)phenyl]butan-2-one CAS Name: 4-[4-[3-(2-pyrimidinylthio)propoxy]phenyl]-2-butanone IUPAC Name: 4-[4-(3-pyrimidin-2-ylsulfanylpropoxy)phenyl]butan-2-one Traditional Name: 4-[4-[3-(2-pyrimidylthio)propoxy]phenyl]butan-2-one Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCCCSC2=NC=CC=N2

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCCCSC2=NC=CC=N2

InChI

InChI=1S/C17H20N2O2S/c1-14(20)4-5-15-6-8-16(9-7-15)21-12-3-13-22-17-18-10-2-11-19-17/h2,6-11H,3-5,12-13H2,1H3