2-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-5-(phenylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-5-(phenylmethyl)-1,3,4-oxadiazole Openeye Name: 2-benzyl-5-[(E)-3-(4-nitrophenyl)sulfonylallyl]sulfanyl-1,3,4-oxadiazole CAS Name: 2-[[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]thio]-5-(phenylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-benzyl-5-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-benzyl-5-[[(E)-3-nosylallyl]thio]-1,3,4-oxadiazole Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(O2)SCC=CS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(O2)SC/C=C/S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S2/c22-21(23)15-7-9-16(10-8-15)28(24,25)12-4-11-27-18-20-19-17(26-18)13-14-5-2-1-3-6-14/h1-10,12H,11,13H2/b12-4+