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

Systemtic Name: 3-(4-ethoxyphenyl)-5-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-(4-ethoxyphenyl)-5-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-(4-ethoxyphenyl)-5-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-ethoxyphenyl)-5-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 5-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]-3-p-phenetyl-1,2,4-oxadiazole Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H24N4O4S2/c1-2-28-17-8-6-16(7-9-17)21-23-19(29-24-21)15-30-20-11-10-18(14-22-20)31(26,27)25-12-4-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3