(2S)-2-methyl-3-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-2-oxidanyl-propanenitrile

Systemtic Name: (2S)-2-methyl-3-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-2-oxidanyl-propanenitrile Openeye Name: (2S)-2-hydroxy-2-methyl-3-[2-[(S)-p-tolylsulfinyl]phenyl]propanenitrile CAS Name: (2S)-2-hydroxy-2-methyl-3-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]propanenitrile IUPAC Name: (2S)-2-hydroxy-2-methyl-3-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]propanenitrile Traditional Name: (2S)-2-hydroxy-2-methyl-3-[2-[(S)-p-tolylsulfinyl]phenyl]propionitrile Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C2=CC=CC=C2CC(C)(C#N)O

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)C2=CC=CC=C2C[C@@](C)(C#N)O

InChI

InChI=1S/C17H17NO2S/c1-13-7-9-15(10-8-13)21(20)16-6-4-3-5-14(16)11-17(2,19)12-18/h3-10,19H,11H2,1-2H3/t17-,21-/m0/s1