(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-nitro-2-phenylsulfanyl-benzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-nitro-2-phenylsulfanyl-benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-nitro-2-phenylsulfanyl-benzoate CAS Name: 5-nitro-2-(phenylthio)benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-nitro-2-phenylsulfanylbenzoate Traditional Name: 5-nitro-2-(phenylthio)benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C22H15N3O5S MolecularWeight: 433.4366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4

InChI

InChI=1S/C22H15N3O5S/c26-22(29-14-20-23-24-21(30-20)15-7-3-1-4-8-15)18-13-16(25(27)28)11-12-19(18)31-17-9-5-2-6-10-17/h1-13H,14H2