S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] 2-(4-nitrophenyl)ethanethioate

Systemtic Name: S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] 2-(4-nitrophenyl)ethanethioate Openeye Name: S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] 2-(4-nitrophenyl)ethanethioate CAS Name: 2-(4-nitrophenyl)ethanethioic acid S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] ester IUPAC Name: S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] 2-(4-nitrophenyl)ethanethioate Traditional Name: 2-(4-nitrophenyl)ethanethioic acid S-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl] ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN=C(O2)SC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN=C(O2)SC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H15N3O6S/c1-25-13-7-8-14(15(10-13)26-2)17-19-20-18(27-17)28-16(22)9-11-3-5-12(6-4-11)21(23)24/h3-8,10H,9H2,1-2H3