(2S)-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-[(2S)-2-phenylbutyl]propanamide

Systemtic Name: (2S)-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-[(2S)-2-phenylbutyl]propanamide Openeye Name: (2S)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide CAS Name: (2S)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-N-[(2S)-2-phenylbutyl]propanamide IUPAC Name: (2S)-2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-N-[(2S)-2-phenylbutyl]propanamide Traditional Name: (2S)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]-N-[(2S)-2-phenylbutyl]propionamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)SC1=NC(=C(C(=C1C#N)C)C)C)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)SC1=NC(=C(C(=C1C#N)C)C)C)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3OS/c1-6-18(19-10-8-7-9-11-19)13-24-21(26)17(5)27-22-20(12-23)15(3)14(2)16(4)25-22/h7-11,17-18H,6,13H2,1-5H3,(H,24,26)/t17-,18+/m0/s1