3-(3,4-dimethoxyphenyl)-5-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]-1,2,4-oxadiazole Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C20H22N4O5S2/c1-27-16-7-5-14(11-17(16)28-2)20-22-18(29-23-20)13-30-19-8-6-15(12-21-19)31(25,26)24-9-3-4-10-24/h5-8,11-12H,3-4,9-10,13H2,1-2H3