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

Systemtic Name: 2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[4-ethyl-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N2CCCC2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)N2CCCC2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5OS/c1-3-31-24(28-29-26(31)33-18(2)25(32)30-15-9-10-16-30)21-17-23(19-11-5-4-6-12-19)27-22-14-8-7-13-20(21)22/h4-8,11-14,17-18H,3,9-10,15-16H2,1-2H3