N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]acetamide IUPAC Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NC(=C(C(=C2C#N)C)C)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)CSC2=NC(=C(C(=C2C#N)C)C)C

InChI

InChI=1S/C21H25N3OS/c1-6-13(2)17-9-7-8-10-19(17)24-20(25)12-26-21-18(11-22)15(4)14(3)16(5)23-21/h7-10,13H,6,12H2,1-5H3,(H,24,25)/t13-/m0/s1