3-(3-fluoranyl-4-methyl-phenyl)-5-(3-quinolin-2-ylsulfonylpropyl)-1,2,4-oxadiazole

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-5-(3-quinolin-2-ylsulfonylpropyl)-1,2,4-oxadiazole Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-5-[3-(2-quinolylsulfonyl)propyl]-1,2,4-oxadiazole CAS Name: 3-(3-fluoro-4-methylphenyl)-5-[3-(2-quinolinylsulfonyl)propyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-fluoro-4-methylphenyl)-5-(3-quinolin-2-ylsulfonylpropyl)-1,2,4-oxadiazole Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-5-[3-(2-quinolylsulfonyl)propyl]-1,2,4-oxadiazole Formula: C21H18FN3O3S MolecularWeight: 411.449323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)CCCS(=O)(=O)C3=NC4=CC=CC=C4C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)CCCS(=O)(=O)C3=NC4=CC=CC=C4C=C3)F

InChI

InChI=1S/C21H18FN3O3S/c1-14-8-9-16(13-17(14)22)21-24-19(28-25-21)7-4-12-29(26,27)20-11-10-15-5-2-3-6-18(15)23-20/h2-3,5-6,8-11,13H,4,7,12H2,1H3