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

Systemtic Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H12ClN3O5S MolecularWeight: 405.81228

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O5S/c1-27-14-7-4-11(8-13(14)21(23)24)17(22)25-9-15-19-16(20-26-15)10-2-5-12(18)6-3-10/h2-8H,9H2,1H3