N,N-diethyl-3-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[5-[(4-nitrophenyl)methylthio]-1,3,4-oxadiazol-2-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[5-[(4-nitrobenzyl)thio]-1,3,4-oxadiazol-2-yl]benzenesulfonamide Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S2/c1-3-22(4-2)30(26,27)17-7-5-6-15(12-17)18-20-21-19(28-18)29-13-14-8-10-16(11-9-14)23(24)25/h5-12H,3-4,13H2,1-2H3