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

Systemtic Name: 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetamide CAS Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-N-[1-(phenylmethyl)-3-pyrrolidinyl]acetamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]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)NC2CCN(C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2CCN(C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H26N4OS/c1-15-16(2)20(11-23)22(24-17(15)3)28-14-21(27)25-19-9-10-26(13-19)12-18-7-5-4-6-8-18/h4-8,19H,9-10,12-14H2,1-3H3,(H,25,27)