2-(2,4-dinitrophenyl)sulfanyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-(2,4-dinitrophenyl)sulfanyl-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-[(2,4-dinitrophenyl)thio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2,4-dinitrophenyl)thio]-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C19H17N5O7S2 MolecularWeight: 491.49758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O7S2/c25-23(26)14-7-8-17(16(12-14)24(27)28)32-19-21-20-18(31-19)13-5-4-6-15(11-13)33(29,30)22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10H2