2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-5-phenyl-1,3,4-oxadiazole

Systemtic Name: 2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-5-phenyl-1,3,4-oxadiazole Openeye Name: 2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-5-phenyl-1,3,4-oxadiazole CAS Name: 2-[[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-5-phenyl-1,3,4-oxadiazole IUPAC Name: 2-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-5-phenyl-1,3,4-oxadiazole Traditional Name: 2-[(4-nitro-2-pyrrolidinosulfonyl-phenyl)thio]-5-phenyl-1,3,4-oxadiazole Formula: C18H16N4O5S2 MolecularWeight: 432.47344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C18H16N4O5S2/c23-22(24)14-8-9-15(16(12-14)29(25,26)21-10-4-5-11-21)28-18-20-19-17(27-18)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2