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

Systemtic Name: 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-5-nitro-benzonitrile Formula: C17H12N4O5S MolecularWeight: 384.36598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4O5S/c1-24-13-6-10(7-14(8-13)25-2)16-19-20-17(26-16)27-15-4-3-12(21(22)23)5-11(15)9-18/h3-8H,1-2H3