2-[(2R,4R,6S)-2-[(2S)-1-oxidanylidenepropan-2-yl]-6-phenylsulfanyl-oxan-4-yl]ethanenitrile

Systemtic Name: 2-[(2R,4R,6S)-2-[(2S)-1-oxidanylidenepropan-2-yl]-6-phenylsulfanyl-oxan-4-yl]ethanenitrile Openeye Name: 2-[(2R,4R,6S)-2-[(1S)-1-methyl-2-oxo-ethyl]-6-phenylsulfanyl-tetrahydropyran-4-yl]acetonitrile CAS Name: 2-[(2R,4R,6S)-2-[(2S)-1-oxopropan-2-yl]-6-(phenylthio)-4-oxanyl]acetonitrile IUPAC Name: 2-[(2R,4R,6S)-2-[(2S)-1-oxopropan-2-yl]-6-phenylsulfanyloxan-4-yl]acetonitrile Traditional Name: 2-[(2R,4R,6S)-2-[(1S)-2-keto-1-methyl-ethyl]-6-(phenylthio)tetrahydropyran-4-yl]acetonitrile Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)C1CC(CC(O1)SC2=CC=CC=C2)CC#N

Isomeric SMILES

C[C@H](C=O)[C@H]1C[C@H](C[C@@H](O1)SC2=CC=CC=C2)CC#N

InChI

InChI=1S/C16H19NO2S/c1-12(11-18)15-9-13(7-8-17)10-16(19-15)20-14-5-3-2-4-6-14/h2-6,11-13,15-16H,7,9-10H2,1H3/t12-,13-,15-,16+/m1/s1