2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide CAS Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-N-[4-(1-pyrrolidinylmethyl)phenyl]acetamide IUPAC Name: 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]-N-[4-(pyrrolidinomethyl)phenyl]acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=CC=C(C=C2)CN3CCCC3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=CC=C(C=C2)CN3CCCC3)C

InChI

InChI=1S/C22H26N4OS/c1-15-16(2)20(12-23)22(24-17(15)3)28-14-21(27)25-19-8-6-18(7-9-19)13-26-10-4-5-11-26/h6-9H,4-5,10-11,13-14H2,1-3H3,(H,25,27)