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

Systemtic Name: 3-[2-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanylethoxy]-4-phenyl-1,2,5-oxadiazole Openeye Name: 3-[2-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanylethoxy]-4-phenyl-1,2,5-oxadiazole CAS Name: 3-[2-[[2-nitro-5-(1-pyrrolidinyl)phenyl]thio]ethoxy]-4-phenyl-1,2,5-oxadiazole IUPAC Name: 3-[2-(2-nitro-5-pyrrolidin-1-ylphenyl)sulfanylethoxy]-4-phenyl-1,2,5-oxadiazole Traditional Name: 3-[2-[(2-nitro-5-pyrrolidino-phenyl)thio]ethoxy]-4-phenyl-furazan Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])SCCOC3=NON=C3C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])SCCOC3=NON=C3C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O4S/c25-24(26)17-9-8-16(23-10-4-5-11-23)14-18(17)29-13-12-27-20-19(21-28-22-20)15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2