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

Systemtic Name: methyl 5-nitro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoate Openeye Name: methyl 5-nitro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoate CAS Name: 5-nitro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzoate Traditional Name: 5-nitro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]benzoic acid methyl ester Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O5S/c1-23-15(20)12-9-11(19(21)22)7-8-13(12)25-16-18-17-14(24-16)10-5-3-2-4-6-10/h2-9H,1H3