1-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-3-nitro-phenyl]ethanone Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(O2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(O2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S/c1-10(21)12-5-8-15(14(9-12)20(22)23)26-17-19-18-16(25-17)11-3-6-13(24-2)7-4-11/h3-9H,1-2H3