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

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S/c1-3-12-4-6-13(7-5-12)18-20-17(27-21-18)11-26-19(23)14-8-9-16(28-2)15(10-14)22(24)25/h4-10H,3,11H2,1-2H3