[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(phenylmethylsulfanyl)ethanoate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(phenylmethylsulfanyl)ethanoate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-benzylsulfanylacetate CAS Name: 2-(phenylmethylthio)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-benzylsulfanylacetate Traditional Name: 2-(benzylthio)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:

C1=CC=C(C=C1)CSCC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c22-17(12-27-11-13-4-2-1-3-5-13)25-10-16-19-20-18(26-16)14-6-8-15(9-7-14)21(23)24/h1-9H,10-12H2