2-(2-oxidanylidenepyrrolidin-1-yl)-N-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]ethanamide

Systemtic Name: 2-(2-oxidanylidenepyrrolidin-1-yl)-N-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]ethanamide Openeye Name: 2-(2-oxopyrrolidin-1-yl)-N-[2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]acetamide CAS Name: N-[1-oxo-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]ethyl]-2-(2-oxo-1-pyrrolidinyl)acetamide IUPAC Name: 2-(2-oxopyrrolidin-1-yl)-N-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]acetamide Traditional Name: 2-(2-ketopyrrolidino)-N-[2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetyl]acetamide Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(=O)CN4CCCC4=O

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(=O)CN4CCCC4=O

InChI

InChI=1S/C21H26N6O3S/c28-17(14-26-13-7-10-19(26)30)22-18(29)15-31-21-24-23-20(25-11-5-2-6-12-25)27(21)16-8-3-1-4-9-16/h1,3-4,8-9H,2,5-7,10-15H2,(H,22,28,29)