2-[(4-nitrophenyl)methylsulfanyl]-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole CAS Name: 2-[(4-nitrophenyl)methylthio]-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(4-nitrobenzyl)thio]-5-(3-pyrrolidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S2/c24-23(25)16-8-6-14(7-9-16)13-29-19-21-20-18(28-19)15-4-3-5-17(12-15)30(26,27)22-10-1-2-11-22/h3-9,12H,1-2,10-11,13H2