(2S)-N-(4-bromophenyl)-2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-bromophenyl)-2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-(4-bromophenyl)propanamide CAS Name: (2S)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-(4-bromophenyl)propanamide IUPAC Name: (2S)-2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(4-bromophenyl)propanamide Traditional Name: (2S)-2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-(4-bromophenyl)propionamide Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC(C)C(=O)NC2=CC=C(C=C2)Br)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)S[C@@H](C)C(=O)NC2=CC=C(C=C2)Br)C#N)C(=O)C

InChI

InChI=1S/C18H16BrN3O2S/c1-10-16(11(2)23)8-13(9-20)18(21-10)25-12(3)17(24)22-15-6-4-14(19)5-7-15/h4-8,12H,1-3H3,(H,22,24)/t12-/m0/s1