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

Systemtic Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzaldehyde Openeye Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzaldehyde CAS Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]thio]-5-nitrobenzaldehyde IUPAC Name: 2-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitrobenzaldehyde Traditional Name: 5-nitro-2-[(5-veratryl-1,3,4-oxadiazol-2-yl)thio]benzaldehyde Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O)OC

InChI

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