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

Systemtic Name: N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[3-(2-oxo-1-pyrrolidinyl)phenyl]-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[3-(2-ketopyrrolidino)phenyl]-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O2S/c34-26(29-22-11-7-14-24(19-22)32-18-8-15-27(32)35)20-36-28-31-30-25(17-16-21-9-3-1-4-10-21)33(28)23-12-5-2-6-13-23/h1-7,9-14,19H,8,15-18,20H2,(H,29,34)