(2R)-4-methylsulfanyl-2-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]butanenitrile

Systemtic Name: (2R)-4-methylsulfanyl-2-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]butanenitrile Openeye Name: (2R)-2-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-4-methylsulfanyl-butanenitrile CAS Name: (2R)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-(methylthio)butanenitrile IUPAC Name: (2R)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-methylsulfanylbutanenitrile Traditional Name: (2R)-2-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-4-(methylthio)butyronitrile Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C#N)NC(CO)C1=CC=CC=C1

Isomeric SMILES

CSCC[C@H](C#N)N[C@H](CO)C1=CC=CC=C1

InChI

InChI=1S/C13H18N2OS/c1-17-8-7-12(9-14)15-13(10-16)11-5-3-2-4-6-11/h2-6,12-13,15-16H,7-8,10H2,1H3/t12-,13-/m1/s1