(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methylphenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methylphenyl)sulfanyl-5-nitro-benzoate Openeye Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-nitro-2-(p-tolylsulfanyl)benzoate CAS Name: 2-[(4-methylphenyl)thio]-5-nitrobenzoic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methylphenyl)sulfanyl-5-nitrobenzoate Traditional Name: 5-nitro-2-(p-tolylthio)benzoic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NN=C(O3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NN=C(O3)C

InChI

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