3-[2-(4-nitro-3-piperidin-1-yl-phenyl)sulfanylethoxy]-4-phenyl-1,2,5-oxadiazole

Systemtic Name: 3-[2-(4-nitro-3-piperidin-1-yl-phenyl)sulfanylethoxy]-4-phenyl-1,2,5-oxadiazole Openeye Name: 3-[2-[4-nitro-3-(1-piperidyl)phenyl]sulfanylethoxy]-4-phenyl-1,2,5-oxadiazole CAS Name: 3-[2-[[4-nitro-3-(1-piperidinyl)phenyl]thio]ethoxy]-4-phenyl-1,2,5-oxadiazole IUPAC Name: 3-[2-(4-nitro-3-piperidin-1-ylphenyl)sulfanylethoxy]-4-phenyl-1,2,5-oxadiazole Traditional Name: 3-[2-[(4-nitro-3-piperidino-phenyl)thio]ethoxy]-4-phenyl-furazan Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)SCCOC3=NON=C3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)SCCOC3=NON=C3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c26-25(27)18-10-9-17(15-19(18)24-11-5-2-6-12-24)30-14-13-28-21-20(22-29-23-21)16-7-3-1-4-8-16/h1,3-4,7-10,15H,2,5-6,11-14H2