5-[(3-nitrophenyl)methyl]-1,3,4-oxadiazole-2-thiolate

Systemtic Name: 5-[(3-nitrophenyl)methyl]-1,3,4-oxadiazole-2-thiolate Openeye Name: 5-[(3-nitrophenyl)methyl]-1,3,4-oxadiazole-2-thiolate CAS Name: 5-[(3-nitrophenyl)methyl]-1,3,4-oxadiazole-2-thiolate IUPAC Name: 5-[(3-nitrophenyl)methyl]-1,3,4-oxadiazole-2-thiolate Traditional Name: 5-(3-nitrobenzyl)-1,3,4-oxadiazole-2-thiolate Formula: C9H6N3O3S- MolecularWeight: 236.22724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7N3O3S/c13-12(14)7-3-1-2-6(4-7)5-8-10-11-9(16)15-8/h1-4H,5H2,(H,11,16)/p-1