4-[(1R,2S)-2-methylsulfanyl-1-oxidanyl-2-phenyl-ethyl]benzenecarbonitrile

Systemtic Name: 4-[(1R,2S)-2-methylsulfanyl-1-oxidanyl-2-phenyl-ethyl]benzenecarbonitrile Openeye Name: 4-[(1R,2S)-1-hydroxy-2-methylsulfanyl-2-phenyl-ethyl]benzonitrile CAS Name: 4-[(1R,2S)-1-hydroxy-2-(methylthio)-2-phenylethyl]benzonitrile IUPAC Name: 4-[(1R,2S)-1-hydroxy-2-methylsulfanyl-2-phenylethyl]benzonitrile Traditional Name: 4-[(1R,2S)-1-hydroxy-2-(methylthio)-2-phenyl-ethyl]benzonitrile Formula: C16H15NOS MolecularWeight: 269.3614

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C1=CC=CC=C1)C(C2=CC=C(C=C2)C#N)O

Isomeric SMILES

CS[C@@H](C1=CC=CC=C1)[C@@H](C2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C16H15NOS/c1-19-16(14-5-3-2-4-6-14)15(18)13-9-7-12(11-17)8-10-13/h2-10,15-16,18H,1H3/t15-,16+/m1/s1