2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-(2-phenylpropyl)propanamide

Systemtic Name: 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-(2-phenylpropyl)propanamide Openeye Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-N-(2-phenylpropyl)propanamide CAS Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-N-(2-phenylpropyl)propanamide IUPAC Name: 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-N-(2-phenylpropyl)propanamide Traditional Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]-N-(2-phenylpropyl)propionamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SC(C)C(=O)NCC(C)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SC(C)C(=O)NCC(C)C2=CC=CC=C2)C

InChI

InChI=1S/C21H25N3OS/c1-13(18-9-7-6-8-10-18)12-23-20(25)17(5)26-21-19(11-22)15(3)14(2)16(4)24-21/h6-10,13,17H,12H2,1-5H3,(H,23,25)