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

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-5-[1-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethyl]-1,2,4-oxadiazole Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-5-[1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethyl]-1,2,4-oxadiazole CAS Name: 3-(3-fluoro-4-methylphenyl)-5-[1-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-fluoro-4-methylphenyl)-5-[1-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethyl]-1,2,4-oxadiazole Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-5-[1-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethyl]-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)C(C)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)F

InChI

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