2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-(1-benzylpyrrolidin-3-yl)acetamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-[1-(phenylmethyl)-3-pyrrolidinyl]acetamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(1-benzylpyrrolidin-3-yl)acetamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-(1-benzylpyrrolidin-3-yl)acetamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)NC2CCN(C2)CC3=CC=CC=C3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)NC2CCN(C2)CC3=CC=CC=C3)C#N)C(=O)C

InChI

InChI=1S/C22H24N4O2S/c1-15-20(16(2)27)10-18(11-23)22(24-15)29-14-21(28)25-19-8-9-26(13-19)12-17-6-4-3-5-7-17/h3-7,10,19H,8-9,12-14H2,1-2H3,(H,25,28)