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

Systemtic Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide Openeye Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide CAS Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-[3-(2-oxo-1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide Traditional Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-[3-(2-ketopyrrolidino)phenyl]propionamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=CC(=C3)N4CCCC4=O

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=CC(=C3)N4CCCC4=O

InChI

InChI=1S/C23H25N5O2S/c1-2-20-25-26-23(28(20)18-9-4-3-5-10-18)31-15-13-21(29)24-17-8-6-11-19(16-17)27-14-7-12-22(27)30/h3-6,8-11,16H,2,7,12-15H2,1H3,(H,24,29)