1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl ester IUPAC Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-11(16-19-20-17(26-16)12-6-4-3-5-7-12)25-18(22)13-8-9-15(27-2)14(10-13)21(23)24/h3-11H,1-2H3