(2R,3R)-3-(4-methylsulfanylphenyl)-3-oxidanyl-2-[(phenylmethyl)amino]propanenitrile

Systemtic Name: (2R,3R)-3-(4-methylsulfanylphenyl)-3-oxidanyl-2-[(phenylmethyl)amino]propanenitrile Openeye Name: (2R,3R)-2-(benzylamino)-3-hydroxy-3-(4-methylsulfanylphenyl)propanenitrile CAS Name: (2R,3R)-3-hydroxy-3-[4-(methylthio)phenyl]-2-[(phenylmethyl)amino]propanenitrile IUPAC Name: (2R,3R)-2-(benzylamino)-3-hydroxy-3-(4-methylsulfanylphenyl)propanenitrile Traditional Name: (2R,3R)-2-(benzylamino)-3-hydroxy-3-[4-(methylthio)phenyl]propionitrile Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C(C#N)NCC2=CC=CC=C2)O

Isomeric SMILES

CSC1=CC=C(C=C1)[C@H]([C@@H](C#N)NCC2=CC=CC=C2)O

InChI

InChI=1S/C17H18N2OS/c1-21-15-9-7-14(8-10-15)17(20)16(11-18)19-12-13-5-3-2-4-6-13/h2-10,16-17,19-20H,12H2,1H3/t16-,17-/m1/s1