1-(3-nitrophenyl)-2-[[5-(phenylmethyl)-1,2,4-oxadiazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-[[5-(phenylmethyl)-1,2,4-oxadiazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(5-benzyl-1,2,4-oxadiazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 1-(3-nitrophenyl)-2-[[5-(phenylmethyl)-1,2,4-oxadiazol-3-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-1,2,4-oxadiazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[(5-benzyl-1,2,4-oxadiazol-3-yl)thio]-1-(3-nitrophenyl)ethanone Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NO2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NO2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O4S/c21-15(13-7-4-8-14(10-13)20(22)23)11-25-17-18-16(24-19-17)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2