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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

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