1-[[5-[(4-nitrophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[5-[(4-nitrophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-[(4-nitrophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-[(4-nitrophenyl)methyl]-1,3,4-oxadiazol-2-yl]thio]-2-propanone IUPAC Name: 1-[[5-[(4-nitrophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(4-nitrobenzyl)-1,3,4-oxadiazol-2-yl]thio]acetone Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(O1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CSC1=NN=C(O1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4S/c1-8(16)7-20-12-14-13-11(19-12)6-9-2-4-10(5-3-9)15(17)18/h2-5H,6-7H2,1H3