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

Systemtic Name: methyl 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzoate Openeye Name: methyl 5-nitro-2-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzoate CAS Name: 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitrobenzoate Traditional Name: 5-nitro-2-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]thio]benzoic acid methyl ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H13N3O5S/c1-10-5-3-4-6-12(10)15-18-19-17(25-15)26-14-8-7-11(20(22)23)9-13(14)16(21)24-2/h3-9H,1-2H3