(2-nitrophenyl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: (2-nitrophenyl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: (2-nitrophenyl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid (2-nitrobenzyl) ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-12-19-17(26-20-12)11-27-16-9-5-3-7-14(16)18(22)25-10-13-6-2-4-8-15(13)21(23)24/h2-9H,10-11H2,1H3