3-(3-fluoranyl-4-methyl-phenyl)-5-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-5-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-5-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-(3-fluoro-4-methylphenyl)-5-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-fluoro-4-methylphenyl)-5-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-5-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]-1,2,4-oxadiazole Formula: C20H21FN4O3S2 MolecularWeight: 448.534143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)F

InChI

InChI=1S/C20H21FN4O3S2/c1-14-5-6-15(11-17(14)21)20-23-18(28-24-20)13-29-19-8-7-16(12-22-19)30(26,27)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10,13H2,1H3