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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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