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

Systemtic Name: (3S)-3-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: (3S)-3-[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: (3S)-3-[[4-ethyl-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: (3S)-3-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: (3S)-3-[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2CCOC2=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1S[C@H]2CCOC2=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C23H20N4O2S/c1-2-27-21(25-26-23(27)30-20-12-13-29-22(20)28)17-14-19(15-8-4-3-5-9-15)24-18-11-7-6-10-16(17)18/h3-11,14,20H,2,12-13H2,1H3/t20-/m0/s1