[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [5-(4-nitrophenyl)-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=CC=C1SCC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-12-4-2-3-5-15(12)27-11-17(22)25-10-16-19-20-18(26-16)13-6-8-14(9-7-13)21(23)24/h2-9H,10-11H2,1H3