4-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-fluoranylbenzoate

Systemtic Name: 4-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-fluoranylbenzoate Openeye Name: 4-[[5-(5-quinolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid 4-[[5-(5-quinolinyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid 4-[[5-(5-quinolyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C22H14FN3O3S MolecularWeight: 419.428263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CC=NC2=C1)C3=NN=C(O3)SCC#CCOC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=C2C=CC=NC2=C1)C3=NN=C(O3)SCC#CCOC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H14FN3O3S/c23-16-10-8-15(9-11-16)21(27)28-13-1-2-14-30-22-26-25-20(29-22)18-5-3-7-19-17(18)6-4-12-24-19/h3-12H,13-14H2