1-phenyl-1-(pyridin-4-ylmethylsulfanyl)propan-2-one

Systemtic Name: 1-phenyl-1-(pyridin-4-ylmethylsulfanyl)propan-2-one Openeye Name: 1-phenyl-1-(4-pyridylmethylsulfanyl)propan-2-one CAS Name: 1-phenyl-1-(pyridin-4-ylmethylthio)-2-propanone IUPAC Name: 1-phenyl-1-(pyridin-4-ylmethylsulfanyl)propan-2-one Traditional Name: 1-phenyl-1-(4-pyridylmethylthio)acetone Formula: C15H15NOS MolecularWeight: 257.3507

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=CC=C1)SCC2=CC=NC=C2

Isomeric SMILES

CC(=O)C(C1=CC=CC=C1)SCC2=CC=NC=C2

InChI

InChI=1S/C15H15NOS/c1-12(17)15(14-5-3-2-4-6-14)18-11-13-7-9-16-10-8-13/h2-10,15H,11H2,1H3