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

Systemtic Name: 4-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitro-benzaldehyde CAS Name: 4-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-3-nitrobenzaldehyde IUPAC Name: 4-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-3-nitro-benzaldehyde Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NN=C(O2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-])OC

InChI

InChI=1S/C17H13N3O6S/c1-24-12-6-11(7-13(8-12)25-2)16-18-19-17(26-16)27-15-4-3-10(9-21)5-14(15)20(22)23/h3-9H,1-2H3