2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-ethyl-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C25H25N5OS MolecularWeight: 443.5639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5OS/c1-2-30-24(27-28-25(30)32-17-23(31)29-14-8-9-15-29)20-16-22(18-10-4-3-5-11-18)26-21-13-7-6-12-19(20)21/h3-7,10-13,16H,2,8-9,14-15,17H2,1H3