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

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-11-5-3-4-6-13(11)17-19-16(26-20-17)10-25-18(22)12-7-8-15(27-2)14(9-12)21(23)24/h3-9H,10H2,1-2H3