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

Systemtic Name: 1-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-ethyl-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS/c1-3-26-21(24-25-22(26)28-14-15(2)27)18-13-20(16-9-5-4-6-10-16)23-19-12-8-7-11-17(18)19/h4-13H,3,14H2,1-2H3