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

Systemtic Name: 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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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)N3CCCC3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2=CC=C(C=C2)N3CCCC3)C

InChI

InChI=1S/C21H24N4OS/c1-14-15(2)19(12-22)21(23-16(14)3)27-13-20(26)24-17-6-8-18(9-7-17)25-10-4-5-11-25/h6-9H,4-5,10-11,13H2,1-3H3,(H,24,26)