[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C18H13N3O5S MolecularWeight: 383.37792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC=CC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S/C=C/C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5S/c22-17(10-11-27-15-4-2-1-3-5-15)25-12-16-19-20-18(26-16)13-6-8-14(9-7-13)21(23)24/h1-11H,12H2/b11-10+