1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanyl-propan-1-one

Systemtic Name: 1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanyl-propan-1-one Openeye Name: 1-(2,5-dimethylphenyl)-2-(2-pyridylsulfanyl)propan-1-one CAS Name: 1-(2,5-dimethylphenyl)-2-(2-pyridinylthio)-1-propanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropan-1-one Traditional Name: 1-(2,5-dimethylphenyl)-2-(2-pyridylthio)propan-1-one Formula: C16H17NOS MolecularWeight: 271.37728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=CC=CC=N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=CC=CC=N2

InChI

InChI=1S/C16H17NOS/c1-11-7-8-12(2)14(10-11)16(18)13(3)19-15-6-4-5-9-17-15/h4-10,13H,1-3H3